#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kar s ASN 386 N 0.00 3.02 0.04 1.61 3.84 -1.13 -4.94 114.94 117.39 3kar s ASN 386 Ca 0.00 -1.14 0.05 0.00 0.21 0.00 0.00 52.86 51.98 3kar s ASN 386 Cb 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 41.25 40.46 3kar s ASN 386 CO 0.00 -0.23 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.31 3kar s ILE 387 N -2.86 1.07 0.04 -5.21 1.09 -1.26 -1.93 121.20 112.14 3kar s ILE 387 Ca 0.29 -1.02 -0.14 0.00 -1.10 0.00 0.00 60.65 58.68 3kar s ILE 387 Cb 0.01 -0.98 0.02 0.00 -1.06 0.00 0.00 42.46 40.45 3kar s ILE 387 CO 0.12 -0.04 0.30 -0.13 -0.10 0.00 0.00 174.94 175.10 3kar s ARG 388 N -1.20 0.80 -0.03 2.79 3.00 -0.58 -4.97 118.95 118.75 3kar s ARG 388 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 55.73 55.25 3kar s ARG 388 Cb -0.08 0.35 0.03 0.00 0.00 0.00 0.00 34.95 35.24 3kar s ARG 388 CO 0.01 -0.25 0.03 0.08 0.00 0.00 0.00 175.30 175.17 3kar s VAL 389 N -2.44 0.05 0.14 3.52 1.01 -1.26 0.30 120.40 121.71 3kar s VAL 389 Ca -0.06 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.26 3kar s VAL 389 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3kar s VAL 389 CO -0.03 0.15 -0.26 -0.31 0.00 0.00 0.00 175.10 174.65 3kar s TYR 390 N 1.49 2.32 -0.06 5.22 2.02 -0.41 -1.64 117.35 126.28 3kar s TYR 390 Ca -0.03 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 3kar s TYR 390 Cb -0.13 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3kar s TYR 390 CO -0.03 0.36 -0.13 0.00 -1.57 0.00 0.00 175.55 174.18 3kar s ARG 392 N -0.62 1.26 -0.27 0.00 3.52 0.74 0.14 118.95 123.72 3kar s ARG 392 Ca 0.09 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.38 3kar s ARG 392 Cb -0.11 -1.27 -0.05 0.00 -1.56 0.00 0.00 34.95 31.96 3kar s ARG 392 CO 0.01 -0.16 0.18 0.42 -0.81 0.00 0.00 175.30 174.94 3kar s ILE 393 N 1.31 5.30 0.49 4.11 1.01 0.48 -1.13 121.20 132.77 3kar s ILE 393 Ca -0.04 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 3kar s ILE 393 Cb -0.14 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3kar s ILE 393 CO -0.03 0.28 0.81 0.00 0.00 0.00 0.00 174.94 176.00 3kar s ARG 394 N 1.57 3.53 0.68 2.79 1.70 -1.06 -2.64 118.95 125.52 3kar s ARG 394 Ca 0.07 0.24 -0.15 0.00 -0.47 0.00 0.00 55.73 55.42 3kar s ARG 394 Cb -0.15 -2.35 0.01 0.00 -0.57 0.00 0.00 34.95 31.89 3kar s ARG 394 CO 0.09 -0.24 1.13 -2.14 -1.08 0.00 0.00 175.30 173.06 3kar s PRO 395 N -4.78 2.60 0.68 3.89 0.02 -1.26 -4.44 135.00 131.71 3kar s PRO 395 Ca 0.48 1.48 -0.14 0.00 0.02 0.00 0.00 61.00 62.84 3kar s PRO 395 Cb -0.10 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3kar s PRO 395 CO 0.46 -1.42 1.09 0.00 -0.33 0.00 0.00 177.00 176.79 3kar s ALA 396 N -2.27 2.50 -0.13 -1.55 0.00 -1.26 -4.89 121.76 114.16 3kar s ALA 396 Ca 0.69 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 3kar s ALA 396 Cb -0.23 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3kar s ALA 396 CO 0.43 -1.29 0.80 -0.51 0.00 0.00 0.00 175.76 175.18 3kar s LEU 397 N -5.13 4.22 0.08 0.00 1.02 -1.26 -4.93 118.68 112.68 3kar s LEU 397 Ca 0.64 1.19 0.01 0.00 0.02 0.00 0.00 54.13 55.99 3kar s LEU 397 Cb -0.18 -3.20 0.22 0.00 0.02 0.00 0.00 46.19 43.05 3kar s LEU 397 CO 0.46 -0.31 0.39 2.29 0.02 0.00 0.00 176.35 179.19 3kar n LYS 398 N 4.78 -0.02 0.00 1.70 0.00 -1.26 -3.27 118.16 120.10 3kar n LYS 398 Ca 0.03 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 3kar n LYS 398 Cb 0.50 -0.59 0.00 0.00 -0.00 0.00 0.00 35.03 34.93 3kar n LYS 398 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kar n ASN 399 N -3.99 1.14 -0.32 -5.58 4.13 -1.26 -4.82 115.26 104.55 3kar n ASN 399 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 3kar n ASN 399 Cb 0.22 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 3kar n ASN 399 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kar n LEU 400 N -2.54 0.59 -4.09 3.41 4.77 -1.25 -4.82 117.00 113.07 3kar n LEU 400 Ca 0.00 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 3kar n LEU 400 Cb 0.33 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3kar n LEU 400 CO 0.00 0.15 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.17 3kar s GLU 401 N -1.35 0.64 0.16 3.23 2.02 -1.20 -5.00 118.70 117.20 3kar s GLU 401 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 54.97 54.00 3kar s GLU 401 Cb 0.00 -0.52 0.06 0.00 0.10 0.00 0.00 34.13 33.77 3kar s GLU 401 CO 0.00 0.11 0.81 0.54 0.02 0.00 0.00 175.26 176.75 3kar s ASN 402 N -1.42 -0.30 -0.38 -0.19 4.22 -1.26 -4.84 114.94 110.76 3kar s ASN 402 Ca -0.05 -0.33 0.11 0.00 -2.14 0.00 0.00 52.86 50.45 3kar s ASN 402 Cb -0.09 0.56 0.44 0.00 1.28 0.00 0.00 41.25 43.44 3kar s ASN 402 CO 0.01 -1.00 1.03 -1.20 -2.04 0.00 0.00 177.10 173.90 3kar n SER 403 N -0.41 3.11 -0.01 3.54 7.64 -1.26 0.28 113.62 126.50 3kar n SER 403 Ca -0.08 -3.23 0.12 0.00 1.01 0.00 0.00 58.87 56.70 3kar n SER 403 Cb 0.61 -0.50 0.31 0.00 -1.01 0.00 0.00 64.21 63.63 3kar n SER 403 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kar n ASP 404 N -0.27 0.46 -0.14 6.43 9.92 -1.26 -3.76 116.55 127.93 3kar n ASP 404 Ca 0.24 -0.19 0.02 0.00 -0.53 0.00 0.00 54.79 54.34 3kar n ASP 404 Cb 0.74 0.14 0.01 0.00 -0.64 0.00 0.00 41.12 41.37 3kar n ASP 404 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3kar n THR 405 N -1.45 0.00 -3.85 -3.53 -1.04 -1.26 -4.98 114.28 98.17 3kar n THR 405 Ca 0.06 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.48 3kar n THR 405 Cb 0.34 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 69.86 3kar n THR 405 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kar s SER 406 N -0.37 -0.06 -0.05 8.00 1.04 -1.25 -1.37 113.70 119.64 3kar s SER 406 Ca 0.04 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3kar s SER 406 Cb 0.03 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.66 3kar s SER 406 CO 0.05 -0.92 0.09 -0.22 0.98 0.00 0.00 173.24 173.23 3kar s LEU 407 N -2.91 0.34 -0.23 2.42 2.96 -0.13 -4.80 118.68 116.33 3kar s LEU 407 Ca 0.12 0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3kar s LEU 407 Cb 0.02 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 3kar s LEU 407 CO -0.03 -0.21 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.14 3kar s ILE 408 N 1.85 3.61 -0.10 6.68 1.01 -1.26 -1.61 121.20 131.38 3kar s ILE 408 Ca -0.00 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3kar s ILE 408 Cb -0.12 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3kar s ILE 408 CO -0.04 0.38 -0.21 0.21 0.00 0.00 0.00 174.94 175.28 3kar s ASN 409 N 1.51 3.37 -0.11 3.58 2.47 0.24 -4.91 114.94 121.09 3kar s ASN 409 Ca 0.06 -0.48 0.01 0.00 0.42 0.00 0.00 52.86 52.87 3kar s ASN 409 Cb -0.15 -1.36 -0.02 0.00 -1.45 0.00 0.00 41.25 38.28 3kar s ASN 409 CO -0.01 0.18 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.72 3kar s VAL 410 N 0.23 2.99 0.42 -5.21 1.01 -1.26 0.28 120.40 118.85 3kar s VAL 410 Ca -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3kar s VAL 410 Cb -0.17 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 3kar s VAL 410 CO 0.07 0.54 0.61 0.20 0.00 0.00 0.00 175.10 176.52 3kar s ASN 411 N 0.11 5.81 0.29 3.32 0.02 0.99 -4.97 114.94 120.52 3kar s ASN 411 Ca -0.07 0.06 -0.29 0.00 -1.02 0.00 0.00 52.86 51.54 3kar s ASN 411 Cb -0.15 -1.32 -0.10 0.00 0.02 0.00 0.00 41.25 39.71 3kar s ASN 411 CO 0.05 -0.66 1.15 -1.83 0.02 0.00 0.00 177.10 175.83 3kar s GLU 412 N -4.44 4.57 0.47 -0.60 4.04 -1.26 -4.38 118.70 117.09 3kar s GLU 412 Ca 0.48 1.91 -0.22 0.00 0.04 0.00 0.00 54.97 57.19 3kar s GLU 412 Cb -0.10 -3.16 -0.10 0.00 0.02 0.00 0.00 34.13 30.79 3kar s GLU 412 CO 0.35 0.11 0.83 0.34 -1.84 0.00 0.00 175.26 175.05 3kar n PHE 413 N 1.10 0.48 -4.14 4.83 -0.00 -1.26 -4.69 117.46 113.78 3kar n PHE 413 Ca -0.01 0.54 -0.15 0.00 -0.00 0.00 0.00 57.45 57.83 3kar n PHE 413 Cb 0.44 -2.12 -0.11 0.00 -0.00 0.00 0.00 39.48 37.68 3kar n PHE 413 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3kar s ASP 414 N -0.92 1.35 -0.13 -2.13 2.15 -0.39 -5.01 116.67 111.59 3kar s ASP 414 Ca 0.66 -0.68 -0.07 0.00 0.43 0.00 0.00 52.55 52.89 3kar s ASP 414 Cb -0.53 -0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.06 3kar s ASP 414 CO 0.55 -0.19 -0.07 0.44 -0.17 0.00 0.00 175.17 175.73 3kar h ASP 415 N 4.04 0.00 -1.22 -0.34 5.19 -1.93 0.97 116.42 123.12 3kar h ASP 415 Ca -0.38 -0.04 0.43 0.00 -0.62 0.00 0.00 57.03 56.42 3kar h ASP 415 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.58 3kar h ASP 415 CO 0.46 0.69 0.78 0.59 -3.12 0.00 0.00 179.24 178.64 3kar n ASN 416 N -4.67 0.20 -0.06 6.45 4.13 -1.26 0.38 115.26 120.43 3kar n ASN 416 Ca -0.05 1.26 -0.03 0.00 1.68 0.00 0.00 54.58 57.44 3kar n ASN 416 Cb 0.18 -0.62 -0.16 0.00 -1.54 0.00 0.00 39.78 37.65 3kar n ASN 416 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3kar n SER 417 N -4.54 0.10 -1.95 6.41 3.41 -1.26 -4.99 113.62 110.81 3kar n SER 417 Ca 0.36 0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.83 3kar n SER 417 Cb 1.40 1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 66.49 3kar n SER 417 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kar n GLY 418 N 1.57 0.68 2.56 5.00 0.00 1.24 -4.93 105.19 111.31 3kar n GLY 418 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 3kar n GLY 418 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kar n VAL 419 N -2.98 0.00 -4.29 1.61 0.31 -0.93 -4.90 118.33 107.14 3kar n VAL 419 Ca -0.20 -1.81 -0.24 0.00 -0.01 0.00 0.00 64.34 62.08 3kar n VAL 419 Cb 0.63 0.64 -0.17 0.00 -0.91 0.00 0.00 33.84 34.04 3kar n VAL 419 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3kar s GLN 420 N -3.19 1.45 0.26 5.55 0.74 -0.43 -1.26 119.66 122.77 3kar s GLN 420 Ca 0.15 -0.29 0.07 0.00 0.05 0.00 0.00 55.36 55.34 3kar s GLN 420 Cb 0.01 -1.33 -0.03 0.00 1.10 0.00 0.00 33.01 32.75 3kar s GLN 420 CO 0.11 -0.09 0.24 -1.12 -0.55 0.00 0.00 175.29 173.88 3kar s SER 421 N 1.05 5.69 0.17 6.67 0.01 -1.26 -1.27 113.70 124.75 3kar s SER 421 Ca -0.08 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3kar s SER 421 Cb -0.14 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 3kar s SER 421 CO -0.01 -0.07 0.04 -0.32 0.41 0.00 0.00 173.24 173.30 3kar s MET 422 N -3.89 1.09 -0.05 12.44 1.75 -0.96 -0.00 119.30 129.67 3kar s MET 422 Ca 0.34 -1.54 -0.04 0.00 -1.25 0.00 0.00 55.69 53.20 3kar s MET 422 Cb -0.08 -0.03 0.02 0.00 2.84 0.00 0.00 34.83 37.58 3kar s MET 422 CO 0.26 -0.22 0.13 -1.21 -0.65 0.00 0.00 175.02 173.33 3kar s GLU 423 N -4.00 0.13 -0.09 4.11 2.02 0.78 -3.11 118.70 118.54 3kar s GLU 423 Ca 0.27 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.51 3kar s GLU 423 Cb 0.07 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.31 3kar s GLU 423 CO 0.05 -0.06 -0.14 0.08 0.02 0.00 0.00 175.26 175.20 3kar s VAL 424 N 0.40 1.39 -0.02 2.63 1.01 0.34 0.80 120.40 126.96 3kar s VAL 424 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kar s VAL 424 Cb -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3kar s VAL 424 CO -0.02 0.42 -0.07 -0.89 0.00 0.00 0.00 175.10 174.54 3kar s THR 425 N 0.89 0.61 -0.17 3.92 2.01 -0.63 0.93 115.64 123.19 3kar s THR 425 Ca -0.09 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 3kar s THR 425 Cb -0.15 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3kar s THR 425 CO 0.00 0.19 0.12 -0.54 -0.69 0.00 0.00 174.62 173.70 3kar s LYS 426 N 0.10 3.87 0.16 4.92 1.02 -1.26 -0.95 119.74 127.59 3kar s LYS 426 Ca -0.01 -0.22 -0.16 0.00 0.02 0.00 0.00 55.97 55.60 3kar s LYS 426 Cb -0.06 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.03 3kar s LYS 426 CO -0.00 0.47 1.73 0.97 -0.92 0.00 0.00 175.35 177.60 3kar h ILE 427 N 4.46 0.83 0.00 2.17 6.09 -1.60 -0.38 117.51 129.08 3kar h ILE 427 Ca -0.45 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3kar h ILE 427 Cb 1.18 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3kar h ILE 427 CO 0.69 0.04 0.53 1.56 -3.07 0.00 0.00 178.15 177.89 3kar h GLN 428 N 0.20 0.00 -0.99 2.19 1.08 -1.96 -3.14 115.11 112.49 3kar h GLN 428 Ca 0.17 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 3kar h GLN 428 Cb 0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.43 3kar h GLN 428 CO -0.21 0.00 -0.45 1.21 -0.95 0.00 0.00 178.83 178.43 3kar s ASN 429 N -3.11 -1.52 0.00 1.46 2.47 -0.16 -5.00 114.94 109.08 3kar s ASN 429 Ca -0.01 -0.85 0.21 0.00 0.42 0.00 0.00 52.86 52.63 3kar s ASN 429 Cb 0.02 1.95 1.13 0.00 -1.45 0.00 0.00 41.25 42.91 3kar s ASN 429 CO 0.08 -0.16 1.66 0.35 -3.72 0.00 0.00 177.10 175.31 3kar n THR 430 N 4.30 0.24 0.48 -5.21 -2.24 -1.19 -2.99 114.28 107.67 3kar n THR 430 Ca 0.12 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 3kar n THR 430 Cb 0.57 -0.72 0.12 0.00 -2.10 0.00 0.00 70.33 68.20 3kar n THR 430 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kar h ALA 431 N 3.11 0.53 -2.57 6.98 0.00 -1.92 -3.43 119.26 121.96 3kar h ALA 431 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 3kar h ALA 431 Cb 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.64 3kar h ALA 431 CO 0.00 0.00 -0.39 -1.14 0.00 0.00 0.00 179.25 177.72 3kar s GLN 432 N -3.21 2.66 -0.18 0.00 0.74 -1.16 -5.07 119.66 113.44 3kar s GLN 432 Ca 0.05 -1.59 -0.07 0.00 0.05 0.00 0.00 55.36 53.79 3kar s GLN 432 Cb 0.13 -3.96 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 3kar s GLN 432 CO 0.74 -1.11 0.06 0.08 -0.55 0.00 0.00 175.29 174.51 3kar s VAL 433 N 1.46 4.70 -0.26 1.34 1.01 -1.26 -4.38 120.40 123.01 3kar s VAL 433 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3kar s VAL 433 Cb -0.25 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3kar s VAL 433 CO 0.02 0.45 0.18 -1.00 0.00 0.00 0.00 175.10 174.75 3kar s HIS 434 N 0.45 3.28 -0.09 5.22 0.09 0.26 -4.89 115.29 119.60 3kar s HIS 434 Ca 0.03 0.19 -0.05 0.00 -0.00 0.00 0.00 55.06 55.22 3kar s HIS 434 Cb -0.13 -2.32 -0.04 0.00 -0.00 0.00 0.00 32.58 30.09 3kar s HIS 434 CO 0.01 -0.03 0.12 -2.00 -0.00 0.00 0.00 174.74 172.84 3kar s GLU 435 N 1.36 3.35 -0.09 1.40 2.12 -1.26 -0.51 118.70 125.07 3kar s GLU 435 Ca 0.08 -0.22 -0.04 0.00 0.36 0.00 0.00 54.97 55.15 3kar s GLU 435 Cb -0.15 -3.10 0.05 0.00 0.26 0.00 0.00 34.13 31.19 3kar s GLU 435 CO 0.07 0.75 0.19 -0.06 -0.54 0.00 0.00 175.26 175.67 3kar s PHE 436 N -1.06 -0.25 0.07 5.30 0.08 -1.18 -5.02 117.98 115.92 3kar s PHE 436 Ca 0.17 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.91 3kar s PHE 436 Cb -0.12 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 3kar s PHE 436 CO 0.06 -0.24 0.15 0.15 -0.10 0.00 0.00 175.22 175.24 3kar s LYS 437 N 1.71 3.21 0.24 0.44 1.02 -1.26 -2.27 119.74 122.83 3kar s LYS 437 Ca -0.04 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 3kar s LYS 437 Cb -0.11 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 3kar s LYS 437 CO -0.07 0.59 0.41 -0.06 -0.92 0.00 0.00 175.35 175.30 3kar s PHE 438 N -1.45 0.56 0.30 3.18 0.08 -0.40 -4.96 117.98 115.29 3kar s PHE 438 Ca 0.32 -0.89 0.04 0.00 0.12 0.00 0.00 56.93 56.53 3kar s PHE 438 Cb -0.13 0.03 0.47 0.00 -0.57 0.00 0.00 43.02 42.82 3kar s PHE 438 CO 0.25 -0.93 1.74 -0.44 -0.10 0.00 0.00 175.22 175.74 3kar h ASP 439 N 2.32 0.41 -3.69 1.36 3.32 -1.62 -1.14 116.42 117.38 3kar h ASP 439 Ca -0.28 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.69 3kar h ASP 439 Cb 1.25 -0.11 -0.24 0.00 0.22 0.00 0.00 39.33 40.44 3kar h ASP 439 CO 0.39 0.67 0.46 -0.75 -1.72 0.00 0.00 179.24 178.29 3kar s LYS 440 N -4.47 0.58 -0.08 3.56 2.20 -1.22 -4.57 119.74 115.74 3kar s LYS 440 Ca -0.06 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 3kar s LYS 440 Cb 0.14 0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 3kar s LYS 440 CO 0.78 -0.13 -0.16 0.42 -0.36 0.00 0.00 175.35 175.90 3kar s ILE 441 N -0.37 1.46 -0.16 5.43 1.01 -1.26 -1.42 121.20 125.89 3kar s ILE 441 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 3kar s ILE 441 Cb -0.03 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3kar s ILE 441 CO -0.02 0.43 -0.03 -0.36 0.00 0.00 0.00 174.94 174.96 3kar s PHE 442 N 0.66 3.03 0.00 3.97 0.08 0.12 -4.97 117.98 120.88 3kar s PHE 442 Ca -0.14 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3kar s PHE 442 Cb -0.16 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3kar s PHE 442 CO 0.04 -0.08 0.00 -0.40 -0.10 0.00 0.00 175.22 174.68 3kar n ASP 443 N 3.68 0.43 0.00 1.36 5.68 -1.26 0.18 116.55 126.62 3kar n ASP 443 Ca -0.17 -0.87 0.06 0.00 -0.50 0.00 0.00 54.79 53.30 3kar n ASP 443 Cb 0.52 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.80 3kar n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kar n GLN 444 N -0.68 0.16 -0.08 0.11 3.00 -1.08 -2.80 117.38 116.01 3kar n GLN 444 Ca 0.00 0.18 -0.19 0.00 -0.01 0.00 0.00 57.00 56.98 3kar n GLN 444 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.62 3kar n GLN 444 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3kar h GLN 445 N 0.00 0.04 -6.11 -1.09 1.08 -1.94 -3.43 115.11 103.67 3kar h GLN 445 Ca 0.00 -0.07 -0.66 0.00 -1.45 0.00 0.00 58.65 56.48 3kar h GLN 445 Cb 0.12 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3kar h GLN 445 CO 0.00 1.03 1.24 -0.25 -0.95 0.00 0.00 178.83 179.90 3kar n ASP 446 N -4.40 2.74 -3.92 1.46 8.00 -1.12 -4.98 116.55 114.32 3kar n ASP 446 Ca -0.24 0.68 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 3kar n ASP 446 Cb 0.66 -1.31 0.15 0.00 -0.02 0.00 0.00 41.12 40.60 3kar n ASP 446 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kar n THR 447 N 6.18 0.00 -0.13 -3.53 -2.24 -1.26 -4.82 114.28 108.47 3kar n THR 447 Ca 0.32 -1.09 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 3kar n THR 447 Cb 0.26 -1.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.19 3kar n THR 447 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3kar h ASN 448 N -1.10 0.45 0.09 3.42 2.35 -1.94 -0.19 115.58 118.66 3kar h ASN 448 Ca -0.34 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 3kar h ASN 448 Cb 1.06 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 3kar h ASN 448 CO 0.29 0.32 -0.09 0.58 -1.65 0.00 0.00 177.43 176.88 3kar h VAL 449 N 0.54 1.07 -0.23 2.81 2.07 -1.94 -0.40 116.25 120.16 3kar h VAL 449 Ca 0.16 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3kar h VAL 449 Cb -0.04 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kar h VAL 449 CO -0.05 0.09 -0.29 0.44 0.02 0.00 0.00 177.57 177.78 3kar h ASP 450 N 0.00 0.47 -0.13 0.57 3.32 -1.43 -3.16 116.42 116.06 3kar h ASP 450 Ca -0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 3kar h ASP 450 Cb 0.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kar h ASP 450 CO 0.01 0.74 -0.34 0.58 -1.72 0.00 0.00 179.24 178.51 3kar h VAL 451 N 0.40 1.37 -0.03 -1.35 2.07 0.25 -3.26 116.25 115.71 3kar h VAL 451 Ca 0.05 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.95 3kar h VAL 451 Cb 0.71 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3kar h VAL 451 CO 0.05 0.49 0.11 0.15 0.02 0.00 0.00 177.57 178.39 3kar h PHE 452 N 0.06 0.00 0.00 1.57 3.57 -1.28 0.79 116.94 121.64 3kar h PHE 452 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kar h PHE 452 Cb 0.95 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3kar h PHE 452 CO 0.11 0.00 -0.08 0.87 -2.23 0.00 0.00 178.31 176.97 3kar h LYS 453 N 0.00 0.00 0.00 1.11 1.57 -1.60 0.70 116.57 118.36 3kar h LYS 453 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kar h LYS 453 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kar h LYS 453 CO -0.00 0.08 -1.37 -1.91 -0.57 0.00 0.00 179.45 175.69 3kar n GLU 454 N -3.61 0.38 -0.05 3.15 4.07 0.26 -4.46 120.64 120.39 3kar n GLU 454 Ca -0.02 -0.06 -0.05 0.00 -0.06 0.00 0.00 57.16 56.96 3kar n GLU 454 Cb 0.20 -1.56 -0.14 0.00 -0.06 0.00 0.00 31.44 29.87 3kar n GLU 454 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3kar n VAL 455 N -2.02 1.24 -0.33 6.31 0.31 -0.65 -4.44 118.33 118.74 3kar n VAL 455 Ca 0.00 -0.77 0.03 0.00 -0.01 0.00 0.00 64.34 63.59 3kar n VAL 455 Cb 0.47 -0.58 0.18 0.00 -0.91 0.00 0.00 33.84 33.00 3kar n VAL 455 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kar h GLY 456 N 3.84 1.42 1.65 2.92 0.00 -1.12 -1.09 103.07 110.69 3kar h GLY 456 Ca -0.36 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 3kar h GLY 456 CO 0.04 0.21 -0.13 -1.61 0.00 0.00 0.00 176.54 175.05 3kar h GLN 457 N 0.96 0.43 0.11 4.80 4.15 -1.84 -1.91 115.11 121.81 3kar h GLN 457 Ca 0.42 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3kar h GLN 457 Cb 0.31 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3kar h GLN 457 CO -0.22 0.56 -0.05 1.25 -1.93 0.00 0.00 178.83 178.44 3kar h LEU 458 N 0.40 -0.12 -0.44 -2.39 5.85 -1.47 -3.26 115.31 113.88 3kar h LEU 458 Ca 0.07 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.52 3kar h LEU 458 Cb 0.47 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3kar h LEU 458 CO 0.03 0.31 0.05 -0.37 -0.34 0.00 0.00 178.44 178.12 3kar h VAL 459 N -0.58 0.72 -1.02 1.05 -1.51 -1.26 -2.01 116.25 111.64 3kar h VAL 459 Ca -0.01 -0.06 0.29 0.00 -1.23 0.00 0.00 66.70 65.69 3kar h VAL 459 Cb 0.46 0.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 3kar h VAL 459 CO 0.02 0.03 1.00 1.56 -1.23 0.00 0.00 177.57 178.95 3kar h GLN 460 N 0.17 0.00 0.00 5.19 4.20 -1.38 -0.71 115.11 122.58 3kar h GLN 460 Ca 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3kar h GLN 460 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kar h GLN 460 CO -0.32 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.50 3kar h SER 461 N 0.00 0.00 0.26 1.46 4.64 -1.45 -2.02 113.55 116.45 3kar h SER 461 Ca 0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.76 3kar h SER 461 Cb 2.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.55 3kar h SER 461 CO -0.01 0.01 -0.19 0.28 -0.87 0.00 0.00 176.83 176.06 3kar h SER 462 N 0.00 0.00 0.45 4.97 0.02 -1.27 0.29 113.55 118.01 3kar h SER 462 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kar h SER 462 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kar h SER 462 CO 0.00 0.19 0.00 -0.07 -1.14 0.00 0.00 176.83 175.81 3kar h LEU 463 N 0.00 0.00 -2.61 5.07 3.38 -1.59 -0.82 115.31 118.74 3kar h LEU 463 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kar h LEU 463 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kar h LEU 463 CO 0.02 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.02 3kar n ASP 464 N -2.30 3.23 0.00 -0.43 8.00 0.07 -4.95 116.55 120.17 3kar n ASP 464 Ca 0.01 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3kar n ASP 464 Cb 0.16 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3kar n ASP 464 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kar n GLY 465 N 1.02 0.57 3.88 0.44 0.00 -0.31 -4.91 105.19 105.87 3kar n GLY 465 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3kar n GLY 465 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kar s TYR 466 N -2.30 3.44 0.16 1.61 1.51 -1.09 -4.59 117.35 116.08 3kar s TYR 466 Ca 0.00 0.97 -0.00 0.00 -1.01 0.00 0.00 57.07 57.02 3kar s TYR 466 Cb 0.00 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 3kar s TYR 466 CO 0.00 0.05 0.33 -0.80 -1.11 0.00 0.00 175.55 174.03 3kar s ASN 467 N -2.84 6.39 0.01 2.29 0.01 -1.26 -3.94 114.94 115.59 3kar s ASN 467 Ca 0.50 0.36 0.02 0.00 -0.71 0.00 0.00 52.86 53.02 3kar s ASN 467 Cb -0.10 -1.99 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 3kar s ASN 467 CO 0.26 0.03 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.14 3kar s VAL 468 N -1.75 0.41 -0.02 1.60 1.01 0.15 -2.09 120.40 119.71 3kar s VAL 468 Ca 0.37 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3kar s VAL 468 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3kar s VAL 468 CO 0.28 -0.05 -0.17 0.00 0.00 0.00 0.00 175.10 175.16 3kar s ILE 470 N -0.24 0.03 -0.05 0.00 1.01 0.33 -0.90 121.20 121.38 3kar s ILE 470 Ca 0.03 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.01 3kar s ILE 470 Cb -0.08 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 3kar s ILE 470 CO 0.00 0.16 -0.24 -0.36 0.00 0.00 0.00 174.94 174.51 3kar s PHE 471 N 1.67 2.29 -0.34 3.97 0.08 -0.57 0.18 117.98 125.26 3kar s PHE 471 Ca -0.01 -0.66 -0.10 0.00 0.12 0.00 0.00 56.93 56.28 3kar s PHE 471 Cb -0.13 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3kar s PHE 471 CO -0.03 -0.20 0.18 0.00 -0.10 0.00 0.00 175.22 175.07 3kar s ALA 472 N -0.16 3.27 -0.05 5.36 0.00 0.13 0.14 121.76 130.45 3kar s ALA 472 Ca -0.03 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.39 3kar s ALA 472 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3kar s ALA 472 CO 0.03 -1.16 -0.08 -0.47 0.00 0.00 0.00 175.76 174.09 3kar s TYR 473 N 1.58 2.90 0.00 0.00 5.04 0.28 -2.86 117.35 124.30 3kar s TYR 473 Ca 0.03 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 3kar s TYR 473 Cb -0.18 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.45 3kar s TYR 473 CO 0.06 0.33 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 3kar n GLY 474 N 2.09 2.45 3.78 8.97 0.00 -1.26 -0.02 105.19 121.20 3kar n GLY 474 Ca -0.17 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3kar n GLY 474 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kar s GLN 475 N -2.03 3.38 0.10 1.61 -2.07 -1.26 -1.93 119.66 117.46 3kar s GLN 475 Ca 0.00 1.58 -0.36 0.00 -1.82 0.00 0.00 55.36 54.76 3kar s GLN 475 Cb 0.00 -2.01 -0.15 0.00 -1.09 0.00 0.00 33.01 29.75 3kar s GLN 475 CO 0.00 -0.82 1.45 2.41 -1.32 0.00 0.00 175.29 177.01 3kar n THR 476 N -1.31 0.02 0.00 3.63 -1.04 -1.26 -0.01 114.28 114.32 3kar n THR 476 Ca 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3kar n THR 476 Cb 0.51 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3kar n THR 476 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kar n GLY 477 N 2.95 1.08 0.19 3.41 0.00 -1.26 -4.91 105.19 106.65 3kar n GLY 477 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3kar n GLY 477 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kar h SER 478 N 0.00 0.00 0.00 1.61 4.64 -0.73 -3.47 113.55 115.60 3kar h SER 478 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kar h SER 478 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kar h SER 478 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kar n GLY 479 N -0.26 1.30 0.18 -0.77 0.00 -1.26 -4.15 105.19 100.23 3kar n GLY 479 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3kar n GLY 479 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kar h LYS 480 N 0.00 0.57 -0.00 1.61 1.57 -1.89 -2.96 116.57 115.47 3kar h LYS 480 Ca 0.00 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 3kar h LYS 480 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kar h LYS 480 CO 0.00 1.10 -0.45 1.15 -0.57 0.00 0.00 179.45 180.68 3kar h THR 481 N 0.19 1.32 -0.34 -0.16 2.02 -1.96 -2.06 112.91 111.93 3kar h THR 481 Ca -0.04 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 3kar h THR 481 Cb 1.21 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 3kar h THR 481 CO 0.12 0.44 0.14 0.15 0.37 0.00 0.00 175.52 176.74 3kar h PHE 482 N 0.00 0.51 -0.56 3.16 3.04 -1.92 0.38 116.94 121.54 3kar h PHE 482 Ca -0.00 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 3kar h PHE 482 Cb 0.79 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 3kar h PHE 482 CO 0.00 0.47 -0.02 1.15 -2.02 0.00 0.00 178.31 177.89 3kar h THR 483 N 0.40 1.27 0.00 4.41 2.02 -1.42 -1.42 112.91 118.17 3kar h THR 483 Ca 0.11 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 3kar h THR 483 Cb 0.17 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3kar h THR 483 CO -0.01 0.41 -0.33 0.24 0.37 0.00 0.00 175.52 176.20 3kar h MET 484 N 0.89 0.00 -0.13 6.66 2.86 -1.13 0.21 114.93 124.29 3kar h MET 484 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3kar h MET 484 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3kar h MET 484 CO 0.03 1.00 0.00 1.28 1.06 0.00 0.00 176.91 180.29 3kar n LEU 485 N -4.56 2.17 -4.68 1.22 4.77 0.13 -0.72 117.00 115.34 3kar n LEU 485 Ca -0.16 -1.49 -0.46 0.00 -0.03 0.00 0.00 56.01 53.88 3kar n LEU 485 Cb 0.54 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3kar n LEU 485 CO 0.30 0.50 1.38 -3.20 -1.33 0.00 0.00 177.39 175.04 3kar n ASN 486 N 0.36 3.44 -4.50 -1.43 5.15 -0.53 -4.64 115.26 113.11 3kar n ASN 486 Ca 0.07 1.01 -0.57 0.00 -0.60 0.00 0.00 54.58 54.49 3kar n ASN 486 Cb 0.29 -1.43 -0.07 0.00 -0.53 0.00 0.00 39.78 38.04 3kar n ASN 486 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3kar n PRO 487 N 5.31 0.18 0.00 1.20 -0.02 -1.26 0.16 135.00 140.56 3kar n PRO 487 Ca 0.20 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3kar n PRO 487 Cb 0.31 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3kar n PRO 487 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kar n GLY 488 N 1.69 0.16 0.09 -1.23 0.00 -1.26 -4.40 105.19 100.24 3kar n GLY 488 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3kar n GLY 488 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kar h ASP 489 N 0.00 0.05 -2.42 1.61 3.32 -1.13 -3.39 116.42 114.46 3kar h ASP 489 Ca 0.00 -0.83 -0.55 0.00 0.02 0.00 0.00 57.03 55.68 3kar h ASP 489 Cb 0.00 -0.02 0.23 0.00 0.22 0.00 0.00 39.33 39.76 3kar h ASP 489 CO 0.00 1.23 -1.42 0.61 -1.72 0.00 0.00 179.24 177.93 3kar n GLY 490 N 1.57 -3.76 0.32 2.75 0.00 0.43 -4.58 105.19 101.92 3kar n GLY 490 Ca -0.19 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 3kar n GLY 490 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kar h ILE 491 N -1.06 1.19 0.63 -0.61 1.08 0.17 -1.43 117.51 117.47 3kar h ILE 491 Ca -0.44 -0.52 -0.03 0.00 -0.39 0.00 0.00 64.86 63.48 3kar h ILE 491 Cb 1.31 0.43 0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3kar h ILE 491 CO 0.28 0.22 -0.30 0.40 -0.69 0.00 0.00 178.15 178.05 3kar h ILE 492 N 0.82 0.00 -0.59 -0.67 2.04 -1.32 0.19 117.51 117.98 3kar h ILE 492 Ca 0.21 -0.25 0.12 0.00 1.00 0.00 0.00 64.86 65.94 3kar h ILE 492 Cb 0.07 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.05 3kar h ILE 492 CO -0.03 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.47 3kar h PRO 493 N -1.09 0.12 -0.20 2.37 0.11 -1.75 1.00 132.00 132.55 3kar h PRO 493 Ca -0.09 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3kar h PRO 493 Cb 0.65 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3kar h PRO 493 CO 0.14 0.08 -0.26 0.77 -0.21 0.00 0.00 178.00 178.52 3kar h SER 494 N 0.12 0.37 -0.50 -2.05 0.02 -1.29 -2.29 113.55 107.92 3kar h SER 494 Ca 0.31 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3kar h SER 494 Cb 0.49 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3kar h SER 494 CO -0.50 0.63 0.09 0.74 -1.14 0.00 0.00 176.83 176.64 3kar h THR 495 N 0.33 1.25 0.16 -2.27 2.02 0.19 -1.78 112.91 112.81 3kar h THR 495 Ca 0.05 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 3kar h THR 495 Cb 0.63 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3kar h THR 495 CO 0.05 0.33 -0.13 0.40 0.37 0.00 0.00 175.52 176.54 3kar h ILE 496 N 0.71 0.72 -0.55 3.11 1.08 -1.09 -1.82 117.51 119.67 3kar h ILE 496 Ca 0.15 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.71 3kar h ILE 496 Cb 0.39 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 34.79 3kar h ILE 496 CO 0.01 0.00 0.17 0.28 -0.69 0.00 0.00 178.15 177.92 3kar h SER 497 N -0.30 0.14 -0.46 1.72 0.02 -1.39 -2.19 113.55 111.08 3kar h SER 497 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kar h SER 497 Cb 0.27 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3kar h SER 497 CO -0.01 0.10 0.31 -0.74 -1.14 0.00 0.00 176.83 175.34 3kar h HIS 498 N 0.34 0.58 -0.61 3.45 -0.00 -1.05 -1.34 115.15 116.52 3kar h HIS 498 Ca 0.27 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.57 3kar h HIS 498 Cb 0.34 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 3kar h HIS 498 CO -0.19 0.37 0.05 0.82 -0.00 0.00 0.00 177.93 178.98 3kar h ILE 499 N 0.63 1.26 -0.61 6.26 2.04 -0.80 -2.73 117.51 123.57 3kar h ILE 499 Ca 0.17 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3kar h ILE 499 Cb -0.07 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3kar h ILE 499 CO -0.04 0.39 0.41 -0.26 0.00 0.00 0.00 178.15 178.65 3kar h PHE 500 N 0.94 0.77 -0.61 1.37 0.04 -1.15 0.80 116.94 119.09 3kar h PHE 500 Ca 0.18 0.02 0.12 0.00 2.80 0.00 0.00 57.97 61.09 3kar h PHE 500 Cb 0.49 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 38.29 3kar h PHE 500 CO 0.04 0.48 0.11 -0.97 -0.60 0.00 0.00 178.31 177.37 3kar h ASN 501 N 0.83 -0.05 -0.39 2.17 -0.73 -1.09 0.20 115.58 116.52 3kar h ASN 501 Ca 0.22 0.12 -0.15 0.00 1.87 0.00 0.00 56.30 58.36 3kar h ASN 501 Cb -0.10 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 3kar h ASN 501 CO -0.05 -0.02 -0.36 -0.50 -0.37 0.00 0.00 177.43 176.13 3kar h TRP 502 N 0.23 1.11 0.81 0.67 4.06 -0.87 -2.26 115.95 119.69 3kar h TRP 502 Ca 0.33 -0.33 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3kar h TRP 502 Cb 0.50 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3kar h TRP 502 CO -0.27 1.15 -0.44 0.82 -3.56 0.00 0.00 178.44 176.15 3kar h ILE 503 N 0.75 0.12 -1.08 1.49 2.04 0.18 0.27 117.51 121.28 3kar h ILE 503 Ca 0.07 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.22 3kar h ILE 503 Cb 0.96 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 3kar h ILE 503 CO 0.09 0.00 0.72 0.78 0.00 0.00 0.00 178.15 179.74 3kar h ASN 504 N -1.15 0.32 1.64 1.72 2.35 -0.67 0.52 115.58 120.31 3kar h ASN 504 Ca -0.11 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3kar h ASN 504 Cb 0.90 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3kar h ASN 504 CO 0.15 0.05 -0.31 0.50 -1.65 0.00 0.00 177.43 176.17 3kar h LYS 505 N 0.27 0.00 0.00 0.81 3.64 -0.68 -3.18 116.57 117.44 3kar h LYS 505 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3kar h LYS 505 Cb 1.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3kar h LYS 505 CO -0.23 0.31 -0.30 1.28 -2.27 0.00 0.00 179.45 178.24 3kar n LEU 506 N -3.19 0.43 -0.25 5.20 4.77 0.18 -3.53 117.00 120.60 3kar n LEU 506 Ca 0.03 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3kar n LEU 506 Cb 0.65 -0.32 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 3kar n LEU 506 CO 0.38 0.00 1.10 0.11 -1.33 0.00 0.00 177.39 177.66 3kar h LYS 507 N 0.00 0.69 -0.94 3.23 1.57 -1.39 -1.43 116.57 118.30 3kar h LYS 507 Ca 0.00 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3kar h LYS 507 Cb 0.59 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 3kar h LYS 507 CO 0.00 0.46 0.60 1.79 -0.57 0.00 0.00 179.45 181.73 3kar h THR 508 N 0.72 0.92 0.00 -0.16 1.35 -1.77 0.34 112.91 114.31 3kar h THR 508 Ca 0.33 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3kar h THR 508 Cb 0.25 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 3kar h THR 508 CO -0.21 0.16 0.00 0.29 -0.25 0.00 0.00 175.52 175.52 3kar n LYS 509 N -4.57 0.99 -0.75 4.72 4.76 -0.60 -4.85 118.16 117.86 3kar n LYS 509 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3kar n LYS 509 Cb 0.36 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3kar n LYS 509 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kar n GLY 510 N 0.64 0.76 3.83 0.72 0.00 0.11 -4.95 105.19 106.30 3kar n GLY 510 Ca 0.07 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3kar n GLY 510 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kar s TRP 511 N -2.00 3.51 -0.10 1.61 0.52 -0.83 -3.78 118.94 117.87 3kar s TRP 511 Ca 0.00 0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.59 3kar s TRP 511 Cb 0.00 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3kar s TRP 511 CO 0.00 0.66 -0.13 0.34 0.02 0.00 0.00 176.95 177.84 3kar s ASP 512 N -0.90 2.26 -0.01 2.95 2.15 -0.08 -3.92 116.67 119.12 3kar s ASP 512 Ca 0.14 -0.38 0.08 0.00 0.43 0.00 0.00 52.55 52.82 3kar s ASP 512 Cb -0.12 -0.99 -0.02 0.00 -0.30 0.00 0.00 42.92 41.49 3kar s ASP 512 CO 0.03 -0.01 -0.24 -0.31 -0.17 0.00 0.00 175.17 174.47 3kar s TYR 513 N 1.08 2.13 -0.00 -5.34 2.02 -1.26 -1.00 117.35 114.98 3kar s TYR 513 Ca -0.05 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 3kar s TYR 513 Cb -0.15 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3kar s TYR 513 CO -0.02 -0.01 -0.20 0.15 -1.57 0.00 0.00 175.55 173.90 3kar s LYS 514 N -0.68 2.18 -0.14 -0.62 -0.14 0.16 -4.92 119.74 115.58 3kar s LYS 514 Ca 0.09 -0.90 0.02 0.00 -1.36 0.00 0.00 55.97 53.83 3kar s LYS 514 Cb -0.09 -2.18 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 3kar s LYS 514 CO -0.00 0.57 -0.21 0.08 -0.76 0.00 0.00 175.35 175.03 3kar s VAL 515 N -0.78 1.98 0.19 3.17 1.01 -1.26 0.15 120.40 124.86 3kar s VAL 515 Ca 0.12 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3kar s VAL 515 Cb -0.10 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3kar s VAL 515 CO 0.02 0.53 -0.17 0.54 0.00 0.00 0.00 175.10 176.03 3kar s ASN 516 N 0.93 2.67 -0.02 3.32 6.03 -0.23 -1.25 114.94 126.39 3kar s ASN 516 Ca -0.05 -0.93 -0.08 0.00 -1.03 0.00 0.00 52.86 50.77 3kar s ASN 516 Cb -0.15 -0.15 0.01 0.00 -3.03 0.00 0.00 41.25 37.92 3kar s ASN 516 CO -0.04 -0.09 0.18 0.00 -2.03 0.00 0.00 177.10 175.12 3kar s GLU 518 N -0.93 1.84 -0.27 0.00 8.01 -0.44 -1.22 118.70 125.69 3kar s GLU 518 Ca -0.10 -1.90 -0.00 0.00 0.01 0.00 0.00 54.97 52.98 3kar s GLU 518 Cb -0.05 -1.74 0.14 0.00 -4.31 0.00 0.00 34.13 28.16 3kar s GLU 518 CO 0.02 0.16 0.34 0.12 0.01 0.00 0.00 175.26 175.91 3kar s PHE 519 N -2.59 -0.70 0.41 1.61 5.36 -1.26 -1.76 117.98 119.05 3kar s PHE 519 Ca 0.33 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.57 3kar s PHE 519 Cb 0.01 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 3kar s PHE 519 CO 0.17 -0.87 0.09 0.96 -1.46 0.00 0.00 175.22 174.11 3kar s ILE 520 N 2.46 0.82 -0.01 3.12 -4.36 -0.33 -0.38 121.20 122.52 3kar s ILE 520 Ca 0.10 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 3kar s ILE 520 Cb -0.14 -2.41 -0.00 0.00 1.25 0.00 0.00 42.46 41.16 3kar s ILE 520 CO -0.27 0.00 -0.06 -1.83 0.24 0.00 0.00 174.94 173.02 3kar s GLU 521 N -3.77 0.53 -0.35 0.37 -1.05 -0.29 0.80 118.70 114.94 3kar s GLU 521 Ca 0.23 -0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 54.68 3kar s GLU 521 Cb 0.04 -0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 33.20 3kar s GLU 521 CO 0.13 0.13 0.34 0.42 0.95 0.00 0.00 175.26 177.23 3kar s ILE 522 N -0.11 5.19 -0.30 1.83 1.01 0.21 -1.75 121.20 127.29 3kar s ILE 522 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 3kar s ILE 522 Cb -0.03 -3.81 0.09 0.00 0.01 0.00 0.00 42.46 38.73 3kar s ILE 522 CO -0.00 -0.09 0.08 -0.47 0.00 0.00 0.00 174.94 174.46 3kar s TYR 523 N 1.95 1.77 -0.60 3.97 5.04 -0.82 -1.54 117.35 127.12 3kar s TYR 523 Ca 0.10 -1.71 -0.00 0.00 -2.44 0.00 0.00 57.07 53.03 3kar s TYR 523 Cb -0.17 -1.69 0.00 0.00 0.35 0.00 0.00 41.96 40.45 3kar s TYR 523 CO 0.11 -0.85 0.02 0.09 -1.34 0.00 0.00 175.55 173.58 3kar n ASN 524 N 4.83 -2.71 -0.15 4.32 3.02 -1.26 -3.21 115.26 120.10 3kar n ASN 524 Ca -0.03 -0.01 -0.02 0.00 -0.03 0.00 0.00 54.58 54.49 3kar n ASN 524 Cb 0.43 -2.00 -0.01 0.00 -0.61 0.00 0.00 39.78 37.58 3kar n ASN 524 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kar n GLU 525 N -1.70 -0.31 -4.97 3.52 -0.58 -1.26 -5.02 120.64 110.32 3kar n GLU 525 Ca -0.08 0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.71 3kar n GLU 525 Cb 0.56 -3.85 -0.14 0.00 -0.57 0.00 0.00 31.44 27.43 3kar n GLU 525 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kar s ASN 526 N -2.51 3.74 0.04 1.62 0.02 -1.20 -4.91 114.94 111.75 3kar s ASN 526 Ca 0.00 -0.33 -0.25 0.00 -1.02 0.00 0.00 52.86 51.26 3kar s ASN 526 Cb 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 41.25 40.15 3kar s ASN 526 CO 0.00 0.26 0.76 -0.63 0.02 0.00 0.00 177.10 177.52 3kar s ILE 527 N -0.25 4.74 -0.05 0.60 1.01 -1.26 -1.94 121.20 124.05 3kar s ILE 527 Ca 0.01 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.30 3kar s ILE 527 Cb -0.13 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3kar s ILE 527 CO 0.03 0.36 -0.10 -0.69 0.00 0.00 0.00 174.94 174.54 3kar s VAL 528 N -0.03 0.89 -0.35 2.92 1.01 -0.72 -4.85 120.40 119.29 3kar s VAL 528 Ca 0.38 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 3kar s VAL 528 Cb -0.20 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3kar s VAL 528 CO 0.23 0.29 0.78 -0.62 0.00 0.00 0.00 175.10 175.78 3kar s ASP 529 N 0.56 6.58 0.00 3.32 -1.08 -1.26 -1.14 116.67 123.65 3kar s ASP 529 Ca -0.10 0.45 0.24 0.00 -0.52 0.00 0.00 52.55 52.61 3kar s ASP 529 Cb -0.13 -2.40 0.88 0.00 -1.46 0.00 0.00 42.92 39.81 3kar s ASP 529 CO 0.02 -0.69 1.63 0.18 0.52 0.00 0.00 175.17 176.83 3kar n LEU 530 N 6.34 1.57 -0.80 -1.34 4.77 0.49 -3.87 117.00 124.16 3kar n LEU 530 Ca 0.03 -0.61 0.04 0.00 -0.03 0.00 0.00 56.01 55.44 3kar n LEU 530 Cb 0.48 -0.06 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 3kar n LEU 530 CO 0.52 0.30 0.64 0.18 -1.33 0.00 0.00 177.39 177.70 3kar n LEU 531 N 0.24 3.54 -4.71 2.23 4.77 -1.24 -5.00 117.00 116.83 3kar n LEU 531 Ca 0.17 -3.42 -0.33 0.00 -0.03 0.00 0.00 56.01 52.41 3kar n LEU 531 Cb 0.34 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 3kar n LEU 531 CO 0.14 0.98 -0.30 0.00 -1.33 0.00 0.00 177.39 176.89 3kar s ARG 532 N -3.04 2.87 -0.21 3.23 1.70 -1.25 -4.82 118.95 117.43 3kar s ARG 532 Ca 0.41 -0.57 0.13 0.00 -0.47 0.00 0.00 55.73 55.22 3kar s ARG 532 Cb 0.36 -2.73 0.43 0.00 -0.57 0.00 0.00 34.95 32.43 3kar s ARG 532 CO 0.02 0.63 1.30 0.45 -1.08 0.00 0.00 175.30 176.62 3kar n SER 533 N 1.32 2.36 0.00 -2.89 2.88 -1.26 -5.13 113.62 110.90 3kar n SER 533 Ca -0.14 -3.55 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 3kar n SER 533 Cb 0.53 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 3kar n SER 533 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3kar n LEU 545 N -1.12 0.00 -4.69 2.46 4.77 -1.26 -5.32 117.00 111.84 3kar n LEU 545 Ca 0.22 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.84 3kar n LEU 545 Cb 0.80 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.80 3kar n LEU 545 CO 0.06 0.00 -0.10 -0.75 -1.33 0.00 0.00 177.39 175.27 3kar s LYS 546 N -1.21 4.14 -0.26 3.23 2.47 -1.26 -5.06 119.74 121.79 3kar s LYS 546 Ca 0.00 -0.12 -0.04 0.00 -1.56 0.00 0.00 55.97 54.24 3kar s LYS 546 Cb 0.00 -3.50 0.01 0.00 -1.46 0.00 0.00 37.83 32.88 3kar s LYS 546 CO 0.00 0.12 -0.00 -1.01 0.16 0.00 0.00 175.35 174.62 3kar s HIS 547 N 0.87 3.06 0.03 4.03 3.76 -1.25 -4.48 115.29 121.31 3kar s HIS 547 Ca 0.11 -1.15 0.06 0.00 -0.15 0.00 0.00 55.06 53.93 3kar s HIS 547 Cb -0.13 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 3kar s HIS 547 CO 0.04 -0.61 -0.17 -1.21 -0.85 0.00 0.00 174.74 171.93 3kar s GLU 548 N 1.44 2.16 -0.15 1.40 2.02 -1.25 -4.82 118.70 119.49 3kar s GLU 548 Ca 0.03 -0.93 -0.27 0.00 0.02 0.00 0.00 54.97 53.82 3kar s GLU 548 Cb -0.16 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 3kar s GLU 548 CO -0.02 0.55 0.90 0.42 0.02 0.00 0.00 175.26 177.14 3kar s ILE 549 N -0.92 4.83 -0.28 -1.63 1.01 -1.26 -0.34 121.20 122.61 3kar s ILE 549 Ca 0.15 1.80 -0.04 0.00 0.00 0.00 0.00 60.65 62.56 3kar s ILE 549 Cb -0.11 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.18 3kar s ILE 549 CO 0.05 0.00 0.01 -0.13 0.00 0.00 0.00 174.94 174.87 3kar s ARG 550 N 2.19 2.86 -0.09 2.79 1.81 0.14 -4.99 118.95 123.66 3kar s ARG 550 Ca 0.42 -0.99 -0.09 0.00 -1.72 0.00 0.00 55.73 53.35 3kar s ARG 550 Cb -0.17 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 3kar s ARG 550 CO 0.14 -0.46 0.21 -1.01 -0.68 0.00 0.00 175.30 173.50 3kar s HIS 551 N 1.38 3.63 -0.23 -0.53 3.76 -1.26 -1.20 115.29 120.84 3kar s HIS 551 Ca 0.00 0.65 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 3kar s HIS 551 Cb -0.17 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.52 3kar s HIS 551 CO -0.01 0.69 -0.13 0.34 -0.85 0.00 0.00 174.74 174.78 3kar s ASP 552 N -0.97 3.99 0.45 1.40 -1.08 0.26 -4.96 116.67 115.76 3kar s ASP 552 Ca 0.17 -1.15 0.27 0.00 -0.52 0.00 0.00 52.55 51.33 3kar s ASP 552 Cb -0.13 -1.50 0.79 0.00 -1.46 0.00 0.00 42.92 40.62 3kar s ASP 552 CO 0.06 -0.13 1.77 1.56 0.52 0.00 0.00 175.17 178.94 3kar h GLN 553 N 7.84 0.00 -0.19 4.34 7.50 -1.95 1.17 115.11 133.82 3kar h GLN 553 Ca -0.27 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 58.79 3kar h GLN 553 Cb 1.07 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.60 3kar h GLN 553 CO 0.51 0.00 -0.24 1.49 -1.50 0.00 0.00 178.83 179.09 3kar h GLU 554 N 0.00 0.49 0.00 1.46 4.57 -1.96 -3.31 114.58 115.83 3kar h GLU 554 Ca 0.00 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.79 3kar h GLU 554 Cb 0.77 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3kar h GLU 554 CO 0.00 0.87 -1.29 2.41 -1.18 0.00 0.00 179.01 179.81 3kar n THR 555 N -4.42 0.97 -3.36 0.32 -1.04 -1.19 -4.97 114.28 100.61 3kar n THR 555 Ca -0.06 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.05 61.09 3kar n THR 555 Cb 0.43 -0.59 0.06 0.00 -1.82 0.00 0.00 70.33 68.42 3kar n THR 555 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3kar n LYS 556 N -2.80 -6.65 -4.44 -2.82 2.85 0.39 -5.01 118.16 99.68 3kar n LYS 556 Ca -0.06 0.83 -0.25 0.00 -1.05 0.00 0.00 58.31 57.78 3kar n LYS 556 Cb 0.74 -5.73 -0.10 0.00 -0.65 0.00 0.00 35.03 29.28 3kar n LYS 556 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3kar s THR 557 N -3.26 2.54 0.07 0.58 -4.23 -0.44 -4.85 115.64 106.05 3kar s THR 557 Ca 0.47 -2.27 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3kar s THR 557 Cb -0.21 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 3kar s THR 557 CO 0.58 -0.32 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.33 3kar s THR 558 N -2.28 0.92 0.13 3.99 2.01 -1.26 0.89 115.64 120.04 3kar s THR 558 Ca 0.28 -1.35 -0.06 0.00 0.31 0.00 0.00 61.69 60.87 3kar s THR 558 Cb -0.06 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 3kar s THR 558 CO 0.14 -0.36 0.17 0.28 -0.69 0.00 0.00 174.62 174.17 3kar s THR 559 N -1.64 0.10 -0.07 -0.82 -1.32 -0.34 -4.99 115.64 106.57 3kar s THR 559 Ca -0.02 -1.53 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 3kar s THR 559 Cb -0.08 -1.77 0.01 0.00 -1.51 0.00 0.00 72.50 69.15 3kar s THR 559 CO 0.01 -0.48 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.20 3kar s ILE 560 N -3.96 1.11 0.26 5.08 1.01 -1.26 0.29 121.20 123.73 3kar s ILE 560 Ca 0.16 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3kar s ILE 560 Cb 0.05 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 3kar s ILE 560 CO -0.03 0.35 1.12 0.42 0.00 0.00 0.00 174.94 176.81 3kar s THR 561 N 0.79 3.51 -0.44 2.92 -4.23 0.53 -3.49 115.64 115.23 3kar s THR 561 Ca -0.12 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 3kar s THR 561 Cb -0.15 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3kar s THR 561 CO 0.02 0.32 0.00 0.59 -0.54 0.00 0.00 174.62 175.02 3kar n ASN 562 N 1.46 -3.46 -4.60 3.99 3.02 -1.26 -3.91 115.26 110.50 3kar n ASN 562 Ca -0.00 0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 3kar n ASN 562 Cb 0.45 -1.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.16 3kar n ASN 562 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kar s VAL 563 N -2.16 5.20 0.10 2.41 1.01 -1.23 -4.99 120.40 120.74 3kar s VAL 563 Ca 0.00 0.50 -0.33 0.00 0.00 0.00 0.00 61.98 62.15 3kar s VAL 563 Cb 0.00 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 3kar s VAL 563 CO 0.00 0.18 1.76 0.41 0.00 0.00 0.00 175.10 177.45 3kar n THR 564 N 5.08 0.27 -4.45 3.92 -1.04 -1.26 -4.99 114.28 111.80 3kar n THR 564 Ca -0.09 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 3kar n THR 564 Cb 0.51 -1.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 3kar n THR 564 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kar s SER 565 N 2.34 4.21 0.01 8.00 0.15 -1.26 -4.56 113.70 122.59 3kar s SER 565 Ca 0.83 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 57.17 3kar s SER 565 Cb -0.59 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 3kar s SER 565 CO 0.40 0.23 -0.13 0.00 1.20 0.00 0.00 173.24 174.95 3kar s LYS 567 N -0.63 4.43 -0.38 0.00 1.02 -1.26 -0.76 119.74 122.16 3kar s LYS 567 Ca 0.03 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.05 3kar s LYS 567 Cb -0.06 -3.49 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 3kar s LYS 567 CO 0.00 -0.10 0.17 -0.51 -0.92 0.00 0.00 175.35 173.99 3kar s LEU 568 N 1.32 4.74 0.00 3.17 1.43 -0.38 -4.84 118.68 124.12 3kar s LEU 568 Ca 0.42 -1.39 0.17 0.00 -1.03 0.00 0.00 54.13 52.31 3kar s LEU 568 Cb -0.18 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3kar s LEU 568 CO 0.19 -0.43 0.93 -0.62 0.23 0.00 0.00 176.35 176.64 3kar n GLU 569 N 4.82 1.59 -3.60 1.70 1.02 -1.26 -4.28 120.64 120.63 3kar n GLU 569 Ca -0.10 -0.99 -0.07 0.00 -0.02 0.00 0.00 57.16 55.97 3kar n GLU 569 Cb 0.44 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 3kar n GLU 569 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kar s SER 570 N -1.88 -0.24 0.23 1.62 1.04 -1.26 -5.05 113.70 108.16 3kar s SER 570 Ca 0.16 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 3kar s SER 570 Cb 0.14 0.20 0.39 0.00 0.10 0.00 0.00 66.02 66.85 3kar s SER 570 CO 0.39 -0.24 1.68 -0.33 0.98 0.00 0.00 173.24 175.72 3kar h GLU 571 N 2.33 0.22 -0.74 4.02 5.08 -1.94 0.89 114.58 124.45 3kar h GLU 571 Ca -0.14 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.40 3kar h GLU 571 Cb 1.17 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3kar h GLU 571 CO 0.27 0.15 0.52 0.93 -1.00 0.00 0.00 179.01 179.88 3kar h GLU 572 N 0.23 0.11 -0.41 2.33 5.08 -1.98 -1.62 114.58 118.32 3kar h GLU 572 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3kar h GLU 572 Cb 0.62 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3kar h GLU 572 CO -0.50 0.08 0.27 0.52 -1.00 0.00 0.00 179.01 178.37 3kar h MET 573 N 0.12 0.54 0.08 2.33 2.86 -1.22 -3.01 114.93 116.63 3kar h MET 573 Ca 0.36 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.67 3kar h MET 573 Cb 1.25 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 3kar h MET 573 CO -0.05 0.37 -1.53 0.28 1.06 0.00 0.00 176.91 177.04 3kar h VAL 574 N 0.55 1.13 -0.15 -2.22 2.07 -1.58 -3.35 116.25 112.70 3kar h VAL 574 Ca 0.15 -2.83 0.04 0.00 0.82 0.00 0.00 66.70 64.88 3kar h VAL 574 Cb -0.05 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3kar h VAL 574 CO -0.03 0.77 1.02 -1.84 0.02 0.00 0.00 177.57 177.51 3kar n GLU 575 N -3.35 0.03 -0.01 1.57 -0.00 -0.64 0.27 120.64 118.50 3kar n GLU 575 Ca -0.15 0.95 -0.17 0.00 -0.00 0.00 0.00 57.16 57.79 3kar n GLU 575 Cb 1.03 -2.53 -0.12 0.00 -0.00 0.00 0.00 31.44 29.82 3kar n GLU 575 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 3kar h ILE 576 N 0.00 1.54 -0.57 3.84 2.10 -1.70 -3.19 117.51 119.53 3kar h ILE 576 Ca 0.07 -2.15 0.05 0.00 1.08 0.00 0.00 64.86 63.91 3kar h ILE 576 Cb 2.10 2.89 -0.05 0.00 -1.09 0.00 0.00 36.82 40.67 3kar h ILE 576 CO -0.00 0.60 0.30 0.40 -1.08 0.00 0.00 178.15 178.37 3kar h ILE 577 N -0.43 0.96 -0.29 2.19 2.04 -0.44 -1.20 117.51 120.34 3kar h ILE 577 Ca -0.06 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.68 3kar h ILE 577 Cb 1.22 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3kar h ILE 577 CO 0.08 0.11 0.23 -0.07 0.00 0.00 0.00 178.15 178.50 3kar h LEU 578 N 0.58 0.00 0.42 1.44 3.38 -1.57 0.17 115.31 119.72 3kar h LEU 578 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3kar h LEU 578 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kar h LEU 578 CO -0.16 0.00 -0.20 0.11 0.09 0.00 0.00 178.44 178.27 3kar h LYS 579 N 0.00 -0.54 -0.13 1.13 1.79 -1.21 -2.94 116.57 114.68 3kar h LYS 579 Ca 0.14 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 3kar h LYS 579 Cb 0.60 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 3kar h LYS 579 CO -0.00 -0.36 -0.08 0.36 -1.08 0.00 0.00 179.45 178.29 3kar n LYS 580 N -4.82 -0.06 -0.33 3.15 0.00 -0.89 -1.69 118.16 113.52 3kar n LYS 580 Ca -0.07 0.88 -0.04 0.00 -0.00 0.00 0.00 58.31 59.08 3kar n LYS 580 Cb 0.22 -1.31 -0.01 0.00 -0.00 0.00 0.00 35.03 33.93 3kar n LYS 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kar n ALA 581 N -2.90 -0.26 -0.19 0.58 0.00 0.54 -1.80 120.51 116.48 3kar n ALA 581 Ca 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 53.44 54.14 3kar n ALA 581 Cb 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 19.45 19.23 3kar n ALA 581 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3kar h ASN 582 N 0.00 0.69 -0.12 0.00 -1.24 -1.13 -2.81 115.58 110.98 3kar h ASN 582 Ca 0.23 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3kar h ASN 582 Cb 0.44 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3kar h ASN 582 CO -0.80 0.62 0.06 0.50 -1.29 0.00 0.00 177.43 176.52 3kar h LYS 583 N 0.71 0.17 -0.84 6.67 1.63 -0.97 -1.56 116.57 122.37 3kar h LYS 583 Ca 0.18 -0.03 0.16 0.00 -0.85 0.00 0.00 60.65 60.11 3kar h LYS 583 Cb 0.11 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 3kar h LYS 583 CO -0.02 0.24 0.55 -0.07 -3.45 0.00 0.00 179.45 176.69 3kar h LEU 584 N 0.06 0.52 -1.68 5.20 4.07 -1.35 0.58 115.31 122.71 3kar h LEU 584 Ca 0.04 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3kar h LEU 584 Cb 0.12 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3kar h LEU 584 CO -0.00 0.25 0.00 0.54 -1.08 0.00 0.00 178.44 178.15 3kar n ARG 585 N -4.52 2.07 -2.31 1.13 1.74 -0.90 -0.97 116.66 112.90 3kar n ARG 585 Ca 0.17 -1.65 -0.25 0.00 -0.77 0.00 0.00 57.85 55.35 3kar n ARG 585 Cb 0.53 -1.40 0.08 0.00 -1.02 0.00 0.00 32.46 30.65 3kar n ARG 585 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kar s SER 586 N -1.21 4.66 0.02 0.55 1.04 0.20 -4.82 113.70 114.14 3kar s SER 586 Ca 0.33 0.23 0.16 0.00 0.48 0.00 0.00 55.95 57.16 3kar s SER 586 Cb 0.18 -0.83 0.70 0.00 0.10 0.00 0.00 66.02 66.17 3kar s SER 586 CO 0.24 -1.67 1.52 0.41 0.98 0.00 0.00 173.24 174.73 3kar n THR 587 N -2.89 0.91 -1.45 2.02 -1.04 -1.26 -4.53 114.28 106.04 3kar n THR 587 Ca 0.10 0.23 -0.47 0.00 -2.04 0.00 0.00 64.05 61.87 3kar n THR 587 Cb 0.60 -0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 68.12 3kar n THR 587 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kar n ALA 588 N -1.52 -2.14 -0.21 2.41 0.00 -1.26 -4.85 120.51 112.94 3kar n ALA 588 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3kar n ALA 588 Cb 0.19 -1.72 0.08 0.00 0.00 0.00 0.00 19.45 18.00 3kar n ALA 588 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kar h SER 589 N 1.23 -0.51 0.51 0.00 0.02 -1.96 -1.40 113.55 111.44 3kar h SER 589 Ca -0.32 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3kar h SER 589 Cb 1.41 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.32 3kar h SER 589 CO 0.57 -0.19 -0.66 0.35 -1.14 0.00 0.00 176.83 175.77 3kar n THR 590 N -5.40 0.09 -0.36 -2.27 -2.24 -1.26 -4.95 114.28 97.89 3kar n THR 590 Ca 0.08 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 3kar n THR 590 Cb 0.34 0.24 0.27 0.00 -2.10 0.00 0.00 70.33 69.09 3kar n THR 590 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kar n ALA 591 N -1.61 -4.10 -2.69 6.98 0.00 -0.53 -5.00 120.51 113.56 3kar n ALA 591 Ca 0.04 -1.59 -0.17 0.00 0.00 0.00 0.00 53.44 51.72 3kar n ALA 591 Cb 0.37 -1.73 0.01 0.00 0.00 0.00 0.00 19.45 18.10 3kar n ALA 591 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kar n SER 592 N -5.13 2.62 0.28 0.00 7.64 -0.15 -4.90 113.62 113.98 3kar n SER 592 Ca 0.08 -3.14 0.15 0.00 1.01 0.00 0.00 58.87 56.97 3kar n SER 592 Cb 0.57 -0.52 0.80 0.00 -1.01 0.00 0.00 64.21 64.05 3kar n SER 592 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3kar h ASN 593 N 2.87 0.00 -0.87 6.43 -0.00 -1.79 -2.82 115.58 119.39 3kar h ASN 593 Ca 0.07 0.00 0.18 0.00 -0.00 0.00 0.00 56.30 56.55 3kar h ASN 593 Cb 1.02 0.00 -0.11 0.00 -0.00 0.00 0.00 38.32 39.23 3kar h ASN 593 CO 0.63 0.08 0.43 -0.33 -0.00 0.00 0.00 177.43 178.24 3kar h GLU 594 N 0.00 0.52 0.02 6.67 5.08 -1.92 0.34 114.58 125.29 3kar h GLU 594 Ca -0.00 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 3kar h GLU 594 Cb 0.32 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.47 3kar h GLU 594 CO 0.01 0.34 -0.82 1.25 -1.00 0.00 0.00 179.01 178.79 3kar h HIS 595 N 0.54 0.78 -0.01 4.33 2.76 -1.92 -3.20 115.15 118.43 3kar h HIS 595 Ca 0.51 -0.44 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 3kar h HIS 595 Cb 0.83 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 3kar h HIS 595 CO -0.11 1.28 -0.21 0.77 -1.30 0.00 0.00 177.93 178.36 3kar h SER 596 N 0.07 0.01 -0.53 3.26 0.02 -1.08 -1.05 113.55 114.26 3kar h SER 596 Ca -0.11 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3kar h SER 596 Cb 1.52 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.03 3kar h SER 596 CO 0.16 0.22 0.16 0.28 -1.14 0.00 0.00 176.83 176.51 3kar h SER 597 N 0.01 0.81 -0.38 3.07 0.02 -0.46 -2.13 113.55 114.49 3kar h SER 597 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3kar h SER 597 Cb 0.38 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kar h SER 597 CO 0.03 0.78 0.00 0.54 -1.14 0.00 0.00 176.83 177.04 3kar n ARG 598 N -4.28 2.01 -4.18 3.45 5.12 -0.44 -0.01 116.66 118.33 3kar n ARG 598 Ca 0.04 -1.56 -0.11 0.00 -1.93 0.00 0.00 57.85 54.30 3kar n ARG 598 Cb 0.22 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.04 3kar n ARG 598 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kar s SER 599 N -1.17 0.65 -0.20 0.55 1.04 -0.80 -4.79 113.70 108.98 3kar s SER 599 Ca 0.31 -1.19 -0.16 0.00 0.48 0.00 0.00 55.95 55.40 3kar s SER 599 Cb 0.17 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3kar s SER 599 CO 0.23 -0.67 0.39 -1.00 0.98 0.00 0.00 173.24 173.17 3kar s HIS 600 N -3.90 3.37 -0.21 5.02 3.76 -0.59 -3.23 115.29 119.52 3kar s HIS 600 Ca 0.23 0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 55.68 3kar s HIS 600 Cb 0.07 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 3kar s HIS 600 CO 0.02 -0.01 0.03 -1.12 -0.85 0.00 0.00 174.74 172.81 3kar s SER 601 N 1.05 5.11 -0.16 1.40 0.01 -0.61 0.67 113.70 121.17 3kar s SER 601 Ca 0.18 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3kar s SER 601 Cb -0.15 -1.88 0.01 0.00 0.21 0.00 0.00 66.02 64.21 3kar s SER 601 CO 0.08 0.07 -0.19 -0.63 0.41 0.00 0.00 173.24 172.98 3kar s ILE 602 N 0.97 2.31 -0.33 1.44 1.01 0.24 -1.53 121.20 125.31 3kar s ILE 602 Ca 0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3kar s ILE 602 Cb -0.14 -1.96 0.04 0.00 0.01 0.00 0.00 42.46 40.41 3kar s ILE 602 CO 0.02 0.53 0.09 0.12 0.00 0.00 0.00 174.94 175.70 3kar s PHE 603 N 0.95 3.26 -0.15 3.97 2.19 -0.94 -1.18 117.98 126.07 3kar s PHE 603 Ca -0.03 -1.52 -0.08 0.00 0.33 0.00 0.00 56.93 55.63 3kar s PHE 603 Cb -0.15 -2.27 -0.04 0.00 -1.31 0.00 0.00 43.02 39.25 3kar s PHE 603 CO -0.04 -0.75 0.11 0.42 1.83 0.00 0.00 175.22 176.80 3kar s ILE 604 N 1.37 5.26 -0.03 3.12 1.01 -0.72 -0.87 121.20 130.34 3kar s ILE 604 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.77 3kar s ILE 604 Cb -0.20 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 38.95 3kar s ILE 604 CO 0.02 0.54 -0.05 -0.63 0.00 0.00 0.00 174.94 174.82 3kar s ILE 605 N -0.35 0.53 -0.12 2.92 1.01 0.64 -1.33 121.20 124.50 3kar s ILE 605 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.63 3kar s ILE 605 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.83 3kar s ILE 605 CO 0.01 0.21 -0.23 -1.00 0.00 0.00 0.00 174.94 173.93 3kar s HIS 606 N 0.65 2.60 -0.30 3.97 3.76 0.12 0.25 115.29 126.35 3kar s HIS 606 Ca -0.09 -1.19 -0.08 0.00 -0.15 0.00 0.00 55.06 53.55 3kar s HIS 606 Cb -0.12 -1.75 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 3kar s HIS 606 CO 0.00 -0.52 0.11 -0.51 -0.85 0.00 0.00 174.74 172.98 3kar s LEU 607 N 0.58 3.92 -0.29 0.89 1.02 -0.09 -1.06 118.68 123.64 3kar s LEU 607 Ca -0.13 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.38 3kar s LEU 607 Cb -0.17 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.13 3kar s LEU 607 CO 0.03 -0.18 0.05 -0.44 0.02 0.00 0.00 176.35 175.83 3kar s SER 608 N 1.56 4.99 -0.04 2.29 0.01 0.12 -1.97 113.70 120.65 3kar s SER 608 Ca 0.04 -0.87 0.06 0.00 1.31 0.00 0.00 55.95 56.49 3kar s SER 608 Cb -0.17 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 3kar s SER 608 CO 0.04 -0.21 -0.23 -0.83 0.41 0.00 0.00 173.24 172.42 3kar s GLY 609 N 1.43 1.18 0.09 3.44 0.00 0.17 0.39 107.32 114.01 3kar s GLY 609 Ca 0.01 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3kar s GLY 609 CO 0.01 -0.64 -0.11 -1.35 0.00 0.00 0.00 173.10 171.02 3kar s SER 610 N -0.22 1.42 -0.06 1.64 1.04 -0.17 0.86 113.70 118.20 3kar s SER 610 Ca -0.00 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 3kar s SER 610 Cb -0.12 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3kar s SER 610 CO 0.02 -0.22 0.08 0.21 0.98 0.00 0.00 173.24 174.31 3kar s ASN 611 N -2.21 1.20 -0.02 7.02 3.84 0.23 -0.91 114.94 124.10 3kar s ASN 611 Ca 0.02 0.05 -0.24 0.00 0.21 0.00 0.00 52.86 52.90 3kar s ASN 611 Cb -0.05 -0.09 -0.18 0.00 -0.55 0.00 0.00 41.25 40.39 3kar s ASN 611 CO 0.00 -0.26 1.14 0.00 -2.79 0.00 0.00 177.10 175.19 3kar h ALA 612 N 8.43 -0.20 0.00 1.71 0.00 -1.85 2.16 119.26 129.50 3kar h ALA 612 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kar h ALA 612 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kar h ALA 612 CO 0.16 -0.37 0.00 0.36 0.00 0.00 0.00 179.25 179.40 3kar n LYS 613 N -4.97 0.00 0.00 0.00 0.00 -1.26 0.03 118.16 111.96 3kar n LYS 613 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 3kar n LYS 613 Cb 0.26 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.96 3kar n LYS 613 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3kar n THR 614 N -0.81 0.00 -0.97 0.58 -2.24 -1.18 -5.01 114.28 104.64 3kar n THR 614 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kar n THR 614 Cb 0.00 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3kar n THR 614 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kar n GLY 615 N 1.23 0.60 3.80 3.38 0.00 0.71 -5.01 105.19 109.90 3kar n GLY 615 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kar n GLY 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kar s ALA 616 N -2.55 2.66 0.03 4.61 0.00 0.11 -4.71 121.76 121.91 3kar s ALA 616 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3kar s ALA 616 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3kar s ALA 616 CO 0.00 -1.04 -0.13 -1.01 0.00 0.00 0.00 175.76 173.59 3kar s HIS 617 N -2.64 1.11 -0.02 0.00 0.09 -1.26 0.75 115.29 113.32 3kar s HIS 617 Ca 0.62 -0.31 -0.01 0.00 -0.00 0.00 0.00 55.06 55.36 3kar s HIS 617 Cb -0.16 -0.67 0.02 0.00 -0.00 0.00 0.00 32.58 31.76 3kar s HIS 617 CO 0.44 0.01 0.05 -1.12 -0.00 0.00 0.00 174.74 174.12 3kar s SER 618 N -0.92 -0.02 -0.05 1.40 0.01 0.25 -4.97 113.70 109.41 3kar s SER 618 Ca 0.01 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 3kar s SER 618 Cb -0.07 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.24 3kar s SER 618 CO 0.01 -0.07 0.02 -0.47 0.41 0.00 0.00 173.24 173.14 3kar s TYR 619 N 0.49 0.35 -0.01 2.43 5.04 -1.26 0.42 117.35 124.81 3kar s TYR 619 Ca -0.04 0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 3kar s TYR 619 Cb -0.06 -0.56 0.01 0.00 0.35 0.00 0.00 41.96 41.71 3kar s TYR 619 CO -0.02 -0.21 0.18 0.20 -1.34 0.00 0.00 175.55 174.36 3kar s GLY 620 N 1.68 -0.02 -0.01 8.97 0.00 -0.83 -4.43 107.32 112.67 3kar s GLY 620 Ca -0.00 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.85 3kar s GLY 620 CO -0.03 -0.07 -0.22 -1.59 0.00 0.00 0.00 173.10 171.19 3kar s THR 621 N -1.11 2.43 -0.13 0.90 2.01 -1.25 -0.92 115.64 117.56 3kar s THR 621 Ca -0.12 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.85 3kar s THR 621 Cb -0.06 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 3kar s THR 621 CO 0.02 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.55 3kar s LEU 622 N -0.81 2.44 -0.25 4.42 1.43 0.14 -0.67 118.68 125.38 3kar s LEU 622 Ca 0.11 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3kar s LEU 622 Cb -0.10 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3kar s LEU 622 CO 0.00 0.13 -0.12 0.20 0.23 0.00 0.00 176.35 176.80 3kar s ASN 623 N 0.56 4.22 -0.43 2.29 -0.87 0.15 -0.26 114.94 120.61 3kar s ASN 623 Ca -0.10 -1.22 -0.12 0.00 -1.57 0.00 0.00 52.86 49.85 3kar s ASN 623 Cb -0.16 -1.55 0.06 0.00 -0.02 0.00 0.00 41.25 39.58 3kar s ASN 623 CO 0.04 -0.15 0.29 -0.76 -2.57 0.00 0.00 177.10 173.94 3kar s LEU 624 N 1.16 5.20 -0.22 0.60 1.43 -0.05 -0.51 118.68 126.30 3kar s LEU 624 Ca -0.06 -1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 51.64 3kar s LEU 624 Cb -0.18 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3kar s LEU 624 CO -0.06 -0.54 0.08 -0.69 0.23 0.00 0.00 176.35 175.38 3kar s VAL 625 N 1.52 4.74 -0.90 -1.59 1.01 0.47 -2.22 120.40 123.43 3kar s VAL 625 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3kar s VAL 625 Cb -0.22 -3.18 0.23 0.00 0.00 0.00 0.00 36.38 33.21 3kar s VAL 625 CO 0.05 0.39 0.83 -0.62 0.00 0.00 0.00 175.10 175.75 3kar s ASP 626 N 0.94 6.57 0.83 3.32 2.15 -0.58 0.19 116.67 130.08 3kar s ASP 626 Ca 0.05 -3.19 -0.13 0.00 0.43 0.00 0.00 52.55 49.70 3kar s ASP 626 Cb -0.14 -2.10 0.06 0.00 -0.30 0.00 0.00 42.92 40.44 3kar s ASP 626 CO 0.03 -0.38 0.92 0.18 -0.17 0.00 0.00 175.17 175.75 3kar n LEU 627 N 3.20 2.76 -4.79 -1.34 4.77 -1.13 -1.57 117.00 118.90 3kar n LEU 627 Ca 0.17 0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 56.34 3kar n LEU 627 Cb 0.41 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3kar n LEU 627 CO 0.38 -2.38 0.74 0.00 -1.33 0.00 0.00 177.39 174.80 3kar s ALA 628 N -2.19 2.72 0.27 -1.18 0.00 -1.20 -4.77 121.76 115.41 3kar s ALA 628 Ca 0.68 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 3kar s ALA 628 Cb -0.28 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3kar s ALA 628 CO 0.56 -0.74 1.24 0.41 0.00 0.00 0.00 175.76 177.24 3kar n GLY 629 N -0.40 0.37 0.17 0.00 0.00 0.99 -4.69 105.19 101.63 3kar n GLY 629 Ca 0.10 0.41 0.13 0.00 0.00 0.00 0.00 46.02 46.67 3kar n GLY 629 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kar n SER 630 N 1.55 0.76 -4.59 1.61 3.41 -0.81 -4.86 113.62 110.69 3kar n SER 630 Ca 0.10 -0.67 -0.53 0.00 -0.26 0.00 0.00 58.87 57.50 3kar n SER 630 Cb 0.32 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 3kar n SER 630 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3kar n GLU 631 N -0.87 1.01 -2.17 4.33 0.00 -1.26 -4.83 120.64 116.84 3kar n GLU 631 Ca 0.12 0.36 -0.42 0.00 0.00 0.00 0.00 57.16 57.22 3kar n GLU 631 Cb 0.33 -1.99 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 3kar n GLU 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3kar s ARG 632 N 0.61 4.25 -0.19 3.44 6.06 -1.26 -4.99 118.95 126.87 3kar s ARG 632 Ca 0.86 2.01 -0.07 0.00 -2.50 0.00 0.00 55.73 56.04 3kar s ARG 632 Cb -1.00 -3.67 -0.04 0.00 0.06 0.00 0.00 34.95 30.30 3kar s ARG 632 CO 0.49 -0.65 0.04 -1.50 -2.50 0.00 0.00 175.30 171.18 3kar s ILE 633 N 2.83 4.52 0.32 4.11 2.07 -1.26 -4.98 121.20 128.82 3kar s ILE 633 Ca 0.66 -0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.88 3kar s ILE 633 Cb -0.32 -3.04 0.32 0.00 0.13 0.00 0.00 42.46 39.55 3kar s ILE 633 CO 0.26 0.44 1.69 -0.55 -1.91 0.00 0.00 174.94 174.87 3kar h ASN 634 N 7.01 0.49 -3.88 4.50 -1.07 -2.04 -3.46 115.58 117.12 3kar h ASN 634 Ca -0.36 0.17 -0.21 0.00 0.07 0.00 0.00 56.30 55.97 3kar h ASN 634 Cb 1.17 0.12 0.09 0.00 -2.07 0.00 0.00 38.32 37.63 3kar h ASN 634 CO 0.66 -0.05 -0.41 0.52 0.07 0.00 0.00 177.43 178.23 3kar n VAL 635 N -5.02 -2.30 0.00 6.14 0.31 -1.26 -5.29 118.33 110.91 3kar n VAL 635 Ca 0.28 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3kar n VAL 635 Cb 0.84 -3.27 0.00 0.00 -0.91 0.00 0.00 33.84 30.50 3kar n VAL 635 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kar n SER 636 N -1.47 0.00 0.00 4.52 3.41 -1.26 -5.15 113.62 113.66 3kar n SER 636 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3kar n SER 636 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3kar n SER 636 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kar n ASP 641 N 0.00 0.00 0.18 4.04 5.75 -1.26 -5.22 116.55 120.03 3kar n ASP 641 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 3kar n ASP 641 Cb 0.00 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.32 3kar n ASP 641 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3kar h ARG 642 N 0.00 0.00 0.17 0.11 1.12 -2.04 1.97 114.38 115.72 3kar h ARG 642 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.58 3kar h ARG 642 Cb 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 29.99 3kar h ARG 642 CO 0.00 0.39 -1.23 1.25 -3.11 0.00 0.00 179.97 177.27 3kar h LEU 643 N 0.00 0.78 -0.09 3.80 5.85 -2.01 0.11 115.31 123.74 3kar h LEU 643 Ca -0.00 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 57.83 3kar h LEU 643 Cb 1.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3kar h LEU 643 CO 0.05 1.60 0.04 0.03 -0.34 0.00 0.00 178.44 179.82 3kar h ARG 644 N 0.09 0.14 -0.83 1.25 -0.00 -1.81 -0.55 114.38 112.68 3kar h ARG 644 Ca -0.20 -0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.33 3kar h ARG 644 Cb 1.94 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 31.83 3kar h ARG 644 CO 0.23 0.25 0.54 1.49 0.00 0.00 0.00 179.97 182.48 3kar h GLU 645 N -0.00 0.85 0.16 0.04 4.81 0.31 -1.64 114.58 119.10 3kar h GLU 645 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3kar h GLU 645 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kar h GLU 645 CO -0.00 0.56 -0.08 1.15 -0.73 0.00 0.00 179.01 179.91 3kar h THR 646 N 0.87 0.96 0.00 0.32 2.02 -0.05 -2.98 112.91 114.05 3kar h THR 646 Ca 0.36 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kar h THR 646 Cb 0.29 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3kar h THR 646 CO -0.14 0.13 -0.12 1.56 0.37 0.00 0.00 175.52 177.32 3kar h GLN 647 N -0.48 0.00 -0.05 6.66 4.20 -0.75 -2.35 115.11 122.34 3kar h GLN 647 Ca -0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kar h GLN 647 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3kar h GLN 647 CO 0.04 0.12 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.37 3kar h ASN 648 N 0.00 -0.10 -0.13 1.46 2.35 -1.16 -2.60 115.58 115.39 3kar h ASN 648 Ca -0.00 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3kar h ASN 648 Cb 0.22 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3kar h ASN 648 CO 0.02 -0.05 0.06 0.40 -1.65 0.00 0.00 177.43 176.21 3kar h ILE 649 N -0.04 1.11 -0.42 2.81 2.04 -1.30 -0.35 117.51 121.36 3kar h ILE 649 Ca 0.03 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.65 3kar h ILE 649 Cb 0.08 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3kar h ILE 649 CO -0.07 0.10 -0.01 0.78 0.00 0.00 0.00 178.15 178.95 3kar h ASN 650 N 0.09 -0.19 -0.18 1.72 2.35 -1.37 0.72 115.58 118.72 3kar h ASN 650 Ca 0.04 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3kar h ASN 650 Cb 0.10 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3kar h ASN 650 CO -0.01 -0.06 -0.30 0.11 -1.65 0.00 0.00 177.43 175.52 3kar h LYS 651 N 0.10 0.67 0.32 0.81 6.56 -1.34 0.20 116.57 123.89 3kar h LYS 651 Ca 0.21 -0.30 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3kar h LYS 651 Cb 0.30 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 3kar h LYS 651 CO -0.36 0.89 -0.26 1.03 -2.06 0.00 0.00 179.45 178.69 3kar h SER 652 N 0.57 -0.69 0.11 0.86 0.87 0.76 0.24 113.55 116.28 3kar h SER 652 Ca 0.07 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3kar h SER 652 Cb 0.80 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3kar h SER 652 CO 0.07 -0.39 -0.05 -0.07 -0.53 0.00 0.00 176.83 175.85 3kar h LEU 653 N -0.59 -0.12 -0.45 2.23 3.38 0.47 -0.93 115.31 119.29 3kar h LEU 653 Ca -0.02 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kar h LEU 653 Cb 0.53 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3kar h LEU 653 CO -0.02 0.06 0.00 0.77 0.09 0.00 0.00 178.44 179.34 3kar h SER 654 N -0.30 -0.18 -0.80 -0.43 4.64 -0.94 0.68 113.55 116.23 3kar h SER 654 Ca -0.02 0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3kar h SER 654 Cb 0.25 0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 3kar h SER 654 CO 0.02 -0.05 0.52 0.00 -0.87 0.00 0.00 176.83 176.45 3kar h LEU 656 N 1.03 1.02 -0.64 0.00 5.85 0.46 0.14 115.31 123.17 3kar h LEU 656 Ca 0.31 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3kar h LEU 656 Cb -0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3kar h LEU 656 CO -0.09 0.86 -0.25 1.23 -0.34 0.00 0.00 178.44 179.85 3kar h GLY 657 N 1.11 0.87 1.02 3.75 0.00 0.17 -1.49 103.07 108.49 3kar h GLY 657 Ca 0.27 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kar h GLY 657 CO -0.04 0.69 0.49 -0.55 0.00 0.00 0.00 176.54 177.14 3kar h ASP 658 N 0.69 1.07 -0.12 0.19 3.32 0.34 -2.43 116.42 119.47 3kar h ASP 658 Ca 0.09 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3kar h ASP 658 Cb 0.77 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kar h ASP 658 CO 0.06 0.84 -0.09 0.58 -1.72 0.00 0.00 179.24 178.92 3kar h VAL 659 N 1.20 1.34 0.61 -1.35 2.07 -0.53 -2.30 116.25 117.30 3kar h VAL 659 Ca 0.31 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3kar h VAL 659 Cb 0.00 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3kar h VAL 659 CO -0.05 0.34 -0.49 0.40 0.02 0.00 0.00 177.57 177.79 3kar h ILE 660 N -0.09 0.03 -0.87 4.57 1.08 -1.18 -1.03 117.51 120.02 3kar h ILE 660 Ca 0.02 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.70 3kar h ILE 660 Cb 0.58 0.03 -0.16 0.00 -3.07 0.00 0.00 36.82 34.20 3kar h ILE 660 CO 0.02 0.00 -0.02 -0.74 -0.69 0.00 0.00 178.15 176.72 3kar h HIS 661 N -1.08 -0.11 -0.56 1.37 2.76 -1.49 0.34 115.15 116.38 3kar h HIS 661 Ca -0.08 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 3kar h HIS 661 Cb 0.90 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 3kar h HIS 661 CO -0.19 -0.33 0.09 0.00 -1.30 0.00 0.00 177.93 176.20 3kar h ALA 662 N 1.84 1.11 -0.18 5.26 0.00 -1.01 -2.56 119.26 123.72 3kar h ALA 662 Ca 0.48 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kar h ALA 662 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kar h ALA 662 CO -0.80 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 178.84 3kar h LEU 663 N 0.84 0.27 -0.01 0.00 3.38 0.99 -2.04 115.31 118.74 3kar h LEU 663 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kar h LEU 663 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kar h LEU 663 CO 0.01 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3kar n GLY 664 N -0.86 -1.59 3.77 0.83 0.00 -0.80 -4.79 105.19 101.75 3kar n GLY 664 Ca -0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3kar n GLY 664 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kar s GLN 665 N -3.05 3.99 0.57 1.61 1.11 -0.77 -4.88 119.66 118.24 3kar s GLN 665 Ca 0.12 1.77 0.27 0.00 0.01 0.00 0.00 55.36 57.54 3kar s GLN 665 Cb 0.16 -2.58 1.52 0.00 -1.01 0.00 0.00 33.01 31.09 3kar s GLN 665 CO 0.56 -0.36 2.01 -1.35 0.01 0.00 0.00 175.29 176.16 3kar h PRO 666 N 2.45 0.00 -2.24 2.91 0.11 -1.88 -2.20 132.00 131.15 3kar h PRO 666 Ca -0.49 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 3kar h PRO 666 Cb 1.24 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.93 3kar h PRO 666 CO 0.62 0.00 -0.71 -3.47 -0.21 0.00 0.00 178.00 174.23 3kar n ASP 667 N -3.96 4.05 -0.02 -2.05 2.03 -1.26 -4.80 116.55 110.54 3kar n ASP 667 Ca 0.06 -3.61 0.13 0.00 0.52 0.00 0.00 54.79 51.90 3kar n ASP 667 Cb 0.51 -0.57 0.48 0.00 -0.72 0.00 0.00 41.12 40.82 3kar n ASP 667 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3kar n SER 668 N -0.19 0.26 0.00 1.67 7.64 -0.83 -4.14 113.62 118.03 3kar n SER 668 Ca 0.30 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3kar n SER 668 Cb 0.43 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3kar n SER 668 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kar n THR 669 N -1.42 0.00 -2.57 0.44 -2.24 -1.26 -4.00 114.28 103.23 3kar n THR 669 Ca 0.08 0.86 -0.41 0.00 -2.27 0.00 0.00 64.05 62.31 3kar n THR 669 Cb 0.33 -1.79 0.02 0.00 -2.10 0.00 0.00 70.33 66.79 3kar n THR 669 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kar n LYS 670 N -0.41 5.23 -4.40 -0.78 0.00 -1.26 -4.91 118.16 111.64 3kar n LYS 670 Ca 0.00 -4.56 -0.30 0.00 0.00 0.00 0.00 58.31 53.46 3kar n LYS 670 Cb 0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 35.03 32.46 3kar n LYS 670 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3kar s ARG 671 N -4.26 1.91 -0.47 1.64 3.52 -1.26 -5.06 118.95 114.98 3kar s ARG 671 Ca 0.40 -1.10 -0.29 0.00 -0.13 0.00 0.00 55.73 54.62 3kar s ARG 671 Cb 0.21 -2.16 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 3kar s ARG 671 CO -0.15 0.50 1.24 -1.01 -0.81 0.00 0.00 175.30 175.07 3kar s HIS 672 N -1.09 2.63 -0.26 5.12 3.76 -1.26 -4.96 115.29 119.23 3kar s HIS 672 Ca 0.17 0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 55.73 3kar s HIS 672 Cb -0.11 -4.41 0.03 0.00 1.11 0.00 0.00 32.58 29.21 3kar s HIS 672 CO 0.09 -1.56 -0.05 0.42 -0.85 0.00 0.00 174.74 172.79 3kar s ILE 673 N 4.91 2.87 0.00 0.60 1.01 -1.26 -5.03 121.20 124.30 3kar s ILE 673 Ca 0.52 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 3kar s ILE 673 Cb -0.09 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 3kar s ILE 673 CO 0.31 0.11 0.58 -0.81 0.00 0.00 0.00 174.94 175.12 3kar n PRO 674 N 4.65 0.29 -0.21 2.79 -0.04 -1.26 -4.56 135.00 136.65 3kar n PRO 674 Ca -0.15 -0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 3kar n PRO 674 Cb 0.46 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 3kar n PRO 674 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3kar h PHE 675 N 3.16 -0.51 0.00 0.54 0.04 -1.94 0.51 116.94 118.75 3kar h PHE 675 Ca 0.00 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3kar h PHE 675 Cb 0.29 0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3kar h PHE 675 CO 0.43 -0.31 0.00 0.54 -0.60 0.00 0.00 178.31 178.37 3kar n ARG 676 N -5.44 0.03 0.30 1.51 1.74 -1.26 -1.43 116.66 112.10 3kar n ARG 676 Ca 0.07 0.30 0.17 0.00 -0.77 0.00 0.00 57.85 57.61 3kar n ARG 676 Cb 0.34 -1.56 0.91 0.00 -1.02 0.00 0.00 32.46 31.14 3kar n ARG 676 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3kar h ASN 677 N 0.00 0.00 -5.04 0.55 2.35 -1.25 -3.44 115.58 108.75 3kar h ASN 677 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3kar h ASN 677 Cb 0.24 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.43 3kar h ASN 677 CO 0.00 0.04 -0.42 -0.94 -1.65 0.00 0.00 177.43 174.46 3kar s SER 678 N -5.84 0.02 0.29 5.81 1.04 -1.23 -4.96 113.70 108.83 3kar s SER 678 Ca -0.04 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.10 3kar s SER 678 Cb 0.13 0.26 0.52 0.00 0.10 0.00 0.00 66.02 67.04 3kar s SER 678 CO 0.52 -0.49 1.88 0.50 0.98 0.00 0.00 173.24 176.63 3kar h LYS 679 N 3.73 1.01 0.40 4.02 1.63 -1.87 -0.07 116.57 125.41 3kar h LYS 679 Ca -0.32 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.40 3kar h LYS 679 Cb 1.19 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3kar h LYS 679 CO 0.46 0.67 -0.19 1.25 -3.45 0.00 0.00 179.45 178.18 3kar h LEU 680 N 1.04 -0.45 -0.51 5.20 5.85 -1.96 0.93 115.31 125.41 3kar h LEU 680 Ca 0.43 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 59.01 3kar h LEU 680 Cb 0.29 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3kar h LEU 680 CO -0.18 -0.29 -0.65 0.71 -0.34 0.00 0.00 178.44 177.69 3kar h THR 681 N -0.57 1.31 0.00 1.05 1.35 -1.73 -1.83 112.91 112.49 3kar h THR 681 Ca -0.05 -2.33 -0.00 0.00 -0.55 0.00 0.00 66.41 63.47 3kar h THR 681 Cb 0.43 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3kar h THR 681 CO 0.09 0.63 -0.00 0.22 -0.25 0.00 0.00 175.52 176.21 3kar h TYR 682 N 0.00 -0.01 -0.43 4.73 3.20 0.19 -1.59 116.97 123.06 3kar h TYR 682 Ca -0.01 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3kar h TYR 682 Cb 1.26 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.47 3kar h TYR 682 CO 0.00 0.20 0.07 1.25 -1.64 0.00 0.00 178.16 178.04 3kar h LEU 683 N -0.21 -0.03 -0.75 2.82 6.46 -0.74 -3.22 115.31 119.64 3kar h LEU 683 Ca -0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3kar h LEU 683 Cb 0.21 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3kar h LEU 683 CO 0.00 0.02 -0.08 0.18 -0.62 0.00 0.00 178.44 177.94 3kar n LEU 684 N -5.12 1.25 -0.33 2.25 4.77 -0.70 -4.57 117.00 114.55 3kar n LEU 684 Ca 0.03 -0.39 0.30 0.00 -0.03 0.00 0.00 56.01 55.93 3kar n LEU 684 Cb 0.20 -0.04 0.56 0.00 -2.33 0.00 0.00 43.42 41.81 3kar n LEU 684 CO 0.22 0.21 1.08 0.06 -1.33 0.00 0.00 177.39 177.63 3kar h GLN 685 N 1.84 0.09 0.00 3.23 3.07 -1.30 0.60 115.11 122.64 3kar h GLN 685 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 3kar h GLN 685 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 3kar h GLN 685 CO 0.00 0.06 -0.72 1.88 0.09 0.00 0.00 178.83 180.14 3kar h TYR 686 N 0.09 0.00 -0.01 0.06 0.05 -1.87 0.16 116.97 115.46 3kar h TYR 686 Ca 0.82 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.60 3kar h TYR 686 Cb 2.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.85 3kar h TYR 686 CO -0.01 0.72 0.00 0.43 -1.05 0.00 0.00 178.16 178.25 3kar n SER 687 N -3.68 0.19 -0.03 3.88 7.64 0.20 -3.87 113.62 117.95 3kar n SER 687 Ca -0.01 -1.15 -0.05 0.00 1.01 0.00 0.00 58.87 58.68 3kar n SER 687 Cb 0.70 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 3kar n SER 687 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kar n LEU 688 N -0.81 2.41 -4.86 -3.43 4.77 -0.60 -4.33 117.00 110.15 3kar n LEU 688 Ca 0.21 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.88 3kar n LEU 688 Cb 0.13 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3kar n LEU 688 CO 0.16 0.50 0.72 0.42 -1.33 0.00 0.00 177.39 177.86 3kar s THR 689 N -2.12 4.28 0.00 -5.08 -4.23 0.53 -4.53 115.64 104.50 3kar s THR 689 Ca -0.08 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3kar s THR 689 Cb 0.02 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3kar s THR 689 CO 0.14 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 3kar n GLY 690 N -2.61 1.58 0.00 3.99 0.00 -1.26 -3.32 105.19 103.57 3kar n GLY 690 Ca 0.07 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.65 3kar n GLY 690 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kar n ASP 691 N 5.26 0.00 -4.61 1.61 8.00 -1.26 0.14 116.55 125.70 3kar n ASP 691 Ca 0.00 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 3kar n ASP 691 Cb 0.00 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 40.76 3kar n ASP 691 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kar n SER 692 N -1.36 1.19 -4.45 -2.24 7.64 -1.21 -4.22 113.62 108.96 3kar n SER 692 Ca 0.08 1.01 -0.34 0.00 1.01 0.00 0.00 58.87 60.62 3kar n SER 692 Cb 0.18 -1.35 -0.13 0.00 -1.01 0.00 0.00 64.21 61.90 3kar n SER 692 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kar s LYS 693 N -2.07 3.61 -0.07 1.43 1.02 -0.89 -2.82 119.74 119.95 3kar s LYS 693 Ca 0.64 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 56.15 3kar s LYS 693 Cb -0.54 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 3kar s LYS 693 CO 0.56 0.10 -0.24 0.99 -0.92 0.00 0.00 175.35 175.84 3kar s THR 694 N 0.73 2.12 -0.15 2.17 2.01 -0.81 0.01 115.64 121.73 3kar s THR 694 Ca -0.01 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 60.97 3kar s THR 694 Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.60 3kar s THR 694 CO 0.02 0.57 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.10 3kar s LEU 695 N -0.06 2.00 -0.20 4.42 0.20 -0.07 -1.52 118.68 123.44 3kar s LEU 695 Ca -0.06 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.13 3kar s LEU 695 Cb -0.15 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 3kar s LEU 695 CO 0.05 0.03 0.02 -0.32 -0.29 0.00 0.00 176.35 175.84 3kar s MET 696 N 1.04 3.72 -0.23 1.98 -2.45 0.15 -1.51 119.30 121.99 3kar s MET 696 Ca -0.03 -0.47 -0.07 0.00 -1.25 0.00 0.00 55.69 53.87 3kar s MET 696 Cb -0.14 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.78 3kar s MET 696 CO -0.06 0.08 0.07 -0.06 1.05 0.00 0.00 175.02 176.11 3kar s PHE 697 N 0.85 3.14 -0.39 4.11 0.08 0.36 -1.29 117.98 124.84 3kar s PHE 697 Ca 0.02 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 3kar s PHE 697 Cb -0.14 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 3kar s PHE 697 CO 0.02 -0.17 0.25 0.08 -0.10 0.00 0.00 175.22 175.30 3kar s VAL 698 N 1.20 4.92 -0.19 -0.44 1.01 0.14 0.10 120.40 127.14 3kar s VAL 698 Ca 0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 3kar s VAL 698 Cb -0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3kar s VAL 698 CO 0.04 -0.27 0.72 0.20 0.00 0.00 0.00 175.10 175.79 3kar s ASN 699 N 1.62 6.80 0.08 3.32 -0.87 0.97 -0.18 114.94 126.68 3kar s ASN 699 Ca 0.04 0.98 0.04 0.00 -1.57 0.00 0.00 52.86 52.34 3kar s ASN 699 Cb -0.19 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.61 3kar s ASN 699 CO 0.08 -0.34 -0.11 0.27 -2.57 0.00 0.00 177.10 174.43 3kar s ILE 700 N 2.09 0.95 0.32 0.60 -4.36 -0.28 -4.37 121.20 116.15 3kar s ILE 700 Ca 0.33 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 59.07 3kar s ILE 700 Cb -0.16 -1.20 -0.09 0.00 1.25 0.00 0.00 42.46 42.26 3kar s ILE 700 CO 0.11 -0.44 0.76 -0.55 0.24 0.00 0.00 174.94 175.06 3kar s SER 701 N -2.15 6.84 0.00 4.36 0.15 -1.26 -2.56 113.70 119.08 3kar s SER 701 Ca 0.02 1.36 0.22 0.00 0.70 0.00 0.00 55.95 58.25 3kar s SER 701 Cb -0.06 -2.40 -0.19 0.00 -1.71 0.00 0.00 66.02 61.66 3kar s SER 701 CO 0.01 -0.19 0.79 -0.81 1.20 0.00 0.00 173.24 174.23 3kar n PRO 702 N -0.24 0.32 -2.55 5.44 -0.04 -1.26 -4.93 135.00 131.74 3kar n PRO 702 Ca 0.03 -0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 3kar n PRO 702 Cb 0.53 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3kar n PRO 702 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3kar s SER 703 N -3.81 6.76 0.62 3.54 0.01 -1.26 -4.73 113.70 114.84 3kar s SER 703 Ca 0.01 2.03 0.38 0.00 1.31 0.00 0.00 55.95 59.68 3kar s SER 703 Cb 0.15 -2.58 2.09 0.00 0.21 0.00 0.00 66.02 65.88 3kar s SER 703 CO 0.87 -0.49 2.29 0.28 0.41 0.00 0.00 173.24 176.59 3kar h SER 704 N 2.50 0.00 0.32 2.44 0.02 -0.53 -1.70 113.55 116.60 3kar h SER 704 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kar h SER 704 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3kar h SER 704 CO 0.62 0.01 0.00 0.28 -1.14 0.00 0.00 176.83 176.60 3kar h SER 705 N 0.00 0.00 0.00 3.07 0.02 -1.92 -2.39 113.55 112.33 3kar h SER 705 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kar h SER 705 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kar h SER 705 CO 0.00 0.00 -0.06 1.41 -1.14 0.00 0.00 176.83 177.04 3kar n HIS 706 N -2.97 0.00 -0.29 3.45 -0.00 -0.64 -4.79 115.22 109.99 3kar n HIS 706 Ca -0.02 -0.60 0.24 0.00 -0.00 0.00 0.00 57.72 57.35 3kar n HIS 706 Cb 0.14 -0.09 0.56 0.00 -0.00 0.00 0.00 29.99 30.61 3kar n HIS 706 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3kar h ILE 707 N 1.14 0.55 -0.08 1.59 6.09 -1.47 0.49 117.51 125.82 3kar h ILE 707 Ca 0.00 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 63.35 3kar h ILE 707 Cb 0.87 0.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.38 3kar h ILE 707 CO 0.00 0.06 -0.09 0.78 -3.07 0.00 0.00 178.15 175.83 3kar h ASN 708 N 0.30 0.21 -0.62 2.19 2.35 -1.86 -0.64 115.58 117.51 3kar h ASN 708 Ca 0.54 -0.50 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3kar h ASN 708 Cb 1.54 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.83 3kar h ASN 708 CO -0.20 0.66 0.17 -0.33 -1.65 0.00 0.00 177.43 176.09 3kar h GLU 709 N -0.25 0.99 -0.78 0.81 4.39 -1.77 0.12 114.58 118.10 3kar h GLU 709 Ca 0.01 -0.23 0.18 0.00 0.34 0.00 0.00 59.36 59.66 3kar h GLU 709 Cb 0.61 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 3kar h GLU 709 CO 0.02 0.89 0.53 1.15 -1.16 0.00 0.00 179.01 180.44 3kar h THR 710 N 0.91 0.73 -0.03 1.13 2.02 0.06 0.17 112.91 117.89 3kar h THR 710 Ca 0.20 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.10 3kar h THR 710 Cb 0.33 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3kar h THR 710 CO -0.00 0.06 -0.72 -0.07 0.37 0.00 0.00 175.52 175.15 3kar h LEU 711 N 0.31 0.24 0.03 2.58 3.38 0.84 -2.37 115.31 120.33 3kar h LEU 711 Ca 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kar h LEU 711 Cb 1.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kar h LEU 711 CO -0.11 0.88 -0.02 0.78 0.09 0.00 0.00 178.44 180.07 3kar h ASN 712 N 0.13 -0.04 -0.68 -0.43 2.35 -0.10 -1.51 115.58 115.30 3kar h ASN 712 Ca -0.02 -0.29 0.14 0.00 -0.55 0.00 0.00 56.30 55.58 3kar h ASN 712 Cb 1.28 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.56 3kar h ASN 712 CO 0.11 0.27 0.15 0.28 -1.65 0.00 0.00 177.43 176.58 3kar h SER 713 N -0.34 -0.01 1.32 5.81 0.02 -0.88 0.59 113.55 120.05 3kar h SER 713 Ca -0.00 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3kar h SER 713 Cb 0.32 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3kar h SER 713 CO 0.01 -0.02 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.40 3kar h LEU 714 N 0.26 0.00 0.01 5.07 3.38 -1.29 -1.62 115.31 121.12 3kar h LEU 714 Ca 0.37 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.15 3kar h LEU 714 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3kar h LEU 714 CO -0.47 0.20 -0.76 0.03 0.09 0.00 0.00 178.44 177.53 3kar h ARG 715 N 0.00 0.49 -0.13 1.13 3.08 0.33 -0.14 114.38 119.14 3kar h ARG 715 Ca -0.00 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.52 3kar h ARG 715 Cb 0.91 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3kar h ARG 715 CO 0.03 1.18 -0.01 0.35 -1.07 0.00 0.00 179.97 180.45 3kar h PHE 716 N 0.03 -0.02 -0.54 3.04 3.04 0.21 0.19 116.94 122.88 3kar h PHE 716 Ca -0.10 0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.91 3kar h PHE 716 Cb 1.46 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.95 3kar h PHE 716 CO 0.14 -0.03 0.27 0.00 -2.02 0.00 0.00 178.31 176.67 3kar h ALA 717 N 1.12 0.70 -0.47 2.41 0.00 -1.29 -2.58 119.26 119.15 3kar h ALA 717 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kar h ALA 717 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kar h ALA 717 CO -0.11 -0.08 0.26 0.77 0.00 0.00 0.00 179.25 180.09 3kar h SER 718 N 0.52 0.58 -0.71 0.00 0.02 -0.52 -2.51 113.55 110.92 3kar h SER 718 Ca 0.24 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3kar h SER 718 Cb 0.17 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 3kar h SER 718 CO -0.18 0.49 0.29 0.11 -1.14 0.00 0.00 176.83 176.40 3kar h LYS 719 N 0.62 0.45 0.41 3.45 1.57 -0.59 -2.45 116.57 120.02 3kar h LYS 719 Ca 0.17 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3kar h LYS 719 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3kar h LYS 719 CO -0.03 0.29 -0.23 -0.24 -0.57 0.00 0.00 179.45 178.68 3kar h VAL 720 N 0.46 0.00 -1.02 0.50 3.04 -1.15 -3.23 116.25 114.85 3kar h VAL 720 Ca 0.38 0.00 0.30 0.00 -1.01 0.00 0.00 66.70 66.37 3kar h VAL 720 Cb 0.53 0.00 -0.13 0.00 -2.01 0.00 0.00 31.29 29.67 3kar h VAL 720 CO -0.36 0.00 0.60 -0.55 -1.01 0.00 0.00 177.57 176.25 3kar h ASN 721 N -0.58 0.55 0.00 3.17 -1.07 -1.38 -3.39 115.58 112.88 3kar h ASN 721 Ca -0.06 0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.47 3kar h ASN 721 Cb 0.46 0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 3kar h ASN 721 CO 0.07 -0.03 0.00 -1.54 0.07 0.00 0.00 177.43 176.00