#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2p s ASP 398 N 0.00 6.51 -0.62 4.38 2.15 0.07 -4.88 116.67 124.27 1k2p s ASP 398 Ca 0.00 2.27 -0.26 0.00 0.43 0.00 0.00 52.55 54.99 1k2p s ASP 398 Cb 0.00 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 1k2p s ASP 398 CO 0.00 -1.05 2.32 -2.84 -0.17 0.00 0.00 175.17 173.43 1k2p s PRO 399 N 4.34 2.02 0.26 4.34 0.02 -1.26 -4.51 135.00 140.22 1k2p s PRO 399 Ca 0.79 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1k2p s PRO 399 Cb -0.35 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.51 1k2p s PRO 399 CO 0.33 -3.60 0.43 1.17 -0.33 0.00 0.00 177.00 175.00 1k2p n LYS 400 N 8.96 0.01 -3.81 5.54 4.81 -1.26 -4.32 118.16 128.09 1k2p n LYS 400 Ca 0.38 0.38 -0.36 0.00 -0.87 0.00 0.00 58.31 57.84 1k2p n LYS 400 Cb 0.50 -1.14 -0.13 0.00 0.02 0.00 0.00 35.03 34.29 1k2p n LYS 400 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1k2p s ASP 401 N -2.24 5.04 0.25 3.14 -1.08 -1.26 -5.06 116.67 115.45 1k2p s ASP 401 Ca 0.00 -0.21 -0.17 0.00 -0.52 0.00 0.00 52.55 51.64 1k2p s ASP 401 Cb 0.00 -1.90 0.01 0.00 -1.46 0.00 0.00 42.92 39.58 1k2p s ASP 401 CO 0.00 -0.01 0.59 -1.48 0.52 0.00 0.00 175.17 174.79 1k2p s LEU 402 N 1.49 0.02 0.69 -1.34 2.34 -1.26 -4.93 118.68 115.69 1k2p s LEU 402 Ca 0.06 -0.71 -0.16 0.00 0.06 0.00 0.00 54.13 53.38 1k2p s LEU 402 Cb -0.15 2.26 0.02 0.00 -0.56 0.00 0.00 46.19 47.76 1k2p s LEU 402 CO 0.03 -1.22 1.21 -0.89 -1.06 0.00 0.00 176.35 174.42 1k2p s THR 403 N -3.95 2.41 -0.23 5.48 2.01 0.20 -4.82 115.64 116.74 1k2p s THR 403 Ca 0.15 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 1k2p s THR 403 Cb -0.03 -2.86 0.07 0.00 0.01 0.00 0.00 72.50 69.69 1k2p s THR 403 CO 0.06 -0.09 0.57 0.72 -0.69 0.00 0.00 174.62 175.18 1k2p s PHE 404 N -1.87 -0.86 0.00 4.92 -0.00 -1.26 -0.98 117.98 117.93 1k2p s PHE 404 Ca 0.75 1.76 0.00 0.00 -0.00 0.00 0.00 56.93 59.45 1k2p s PHE 404 Cb -0.30 0.47 0.00 0.00 -0.00 0.00 0.00 43.02 43.20 1k2p s PHE 404 CO 0.42 -0.45 0.00 1.28 -0.00 0.00 0.00 175.22 176.47 1k2p n LEU 405 N 4.28 0.00 0.00 -1.99 4.77 -0.33 -4.96 117.00 118.78 1k2p n LEU 405 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1k2p n LEU 405 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1k2p n LEU 405 CO 0.03 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.38 1k2p n LYS 406 N -0.57 3.83 -4.55 3.23 2.85 -1.26 -4.96 118.16 116.74 1k2p n LYS 406 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1k2p n LYS 406 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1k2p n LYS 406 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1k2p s GLU 407 N 1.99 2.00 0.00 -1.58 -6.30 -1.26 -0.75 118.70 112.80 1k2p s GLU 407 Ca 0.00 -2.24 -0.00 0.00 -2.50 0.00 0.00 54.97 50.23 1k2p s GLU 407 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 34.13 33.44 1k2p s GLU 407 CO 0.00 -0.50 -0.00 1.28 0.02 0.00 0.00 175.26 176.06 1k2p n LEU 408 N -0.99 0.02 0.00 2.70 4.32 0.35 -4.71 117.00 118.70 1k2p n LEU 408 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1k2p n LEU 408 Cb 0.65 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1k2p n LEU 408 CO 0.35 -0.51 0.00 0.61 -1.22 0.00 0.00 177.39 176.62 1k2p n GLY 409 N 3.47 -0.70 3.23 -0.72 0.00 -0.77 -4.95 105.19 104.75 1k2p n GLY 409 Ca -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 1k2p n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k2p s THR 410 N 0.00 0.07 0.00 2.61 2.01 -1.26 -0.61 115.64 118.46 1k2p s THR 410 Ca 0.00 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1k2p s THR 410 Cb 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1k2p s THR 410 CO 0.00 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 1k2p n GLY 411 N 1.01 0.04 0.00 4.40 0.00 -1.25 -5.00 105.19 104.40 1k2p n GLY 411 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1k2p n GLY 411 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k2p n GLN 412 N -1.73 2.57 0.00 1.61 -0.06 -1.26 -5.01 117.38 113.50 1k2p n GLN 412 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1k2p n GLN 412 Cb 0.00 -0.77 0.00 0.00 -4.06 0.00 0.00 30.24 25.41 1k2p n GLN 412 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1k2p n PHE 413 N -0.97 0.00 0.00 3.69 3.72 -1.26 -5.15 117.46 117.48 1k2p n PHE 413 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1k2p n PHE 413 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1k2p n PHE 413 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k2p n GLY 414 N 3.70 5.28 3.70 1.37 0.00 -1.07 -5.02 105.19 113.14 1k2p n GLY 414 Ca 0.00 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1k2p n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2p s VAL 415 N 2.91 4.94 -0.29 1.61 -7.23 -1.22 -3.79 120.40 117.34 1k2p s VAL 415 Ca 0.00 1.68 -0.08 0.00 -1.81 0.00 0.00 61.98 61.78 1k2p s VAL 415 Cb 0.00 -4.15 -0.00 0.00 0.56 0.00 0.00 36.38 32.78 1k2p s VAL 415 CO 0.00 0.15 0.09 0.54 -0.31 0.00 0.00 175.10 175.58 1k2p s VAL 416 N 1.28 4.19 0.00 1.32 0.11 0.22 -0.84 120.40 126.68 1k2p s VAL 416 Ca 0.42 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1k2p s VAL 416 Cb -0.18 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1k2p s VAL 416 CO 0.19 0.13 0.00 0.29 -3.33 0.00 0.00 175.10 172.39 1k2p n LYS 417 N 4.91 1.43 -4.20 1.54 5.02 0.11 0.13 118.16 127.09 1k2p n LYS 417 Ca -0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 1k2p n LYS 417 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 1k2p n LYS 417 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1k2p s TYR 418 N 1.17 0.73 0.22 2.13 -0.85 0.07 -0.34 117.35 120.48 1k2p s TYR 418 Ca 0.00 -0.27 -0.19 0.00 -0.52 0.00 0.00 57.07 56.09 1k2p s TYR 418 Cb 0.00 -0.45 0.07 0.00 0.38 0.00 0.00 41.96 41.96 1k2p s TYR 418 CO 0.00 -0.02 0.91 0.41 -1.52 0.00 0.00 175.55 175.33 1k2p n GLY 419 N 2.28 0.74 3.17 5.49 0.00 0.20 -1.19 105.19 115.88 1k2p n GLY 419 Ca -0.17 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1k2p n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2p s LYS 420 N -2.06 3.06 -0.11 1.61 3.01 -0.15 0.21 119.74 125.31 1k2p s LYS 420 Ca 0.20 -0.80 -0.05 0.00 -1.01 0.00 0.00 55.97 54.31 1k2p s LYS 420 Cb -0.03 -2.60 -0.04 0.00 -1.01 0.00 0.00 37.83 34.15 1k2p s LYS 420 CO 0.07 -0.15 0.06 -0.46 0.51 0.00 0.00 175.35 175.38 1k2p s TRP 421 N 1.18 3.33 -1.92 3.18 -0.00 0.15 -0.63 118.94 124.22 1k2p s TRP 421 Ca 0.02 0.29 0.00 0.00 -0.00 0.00 0.00 56.10 56.41 1k2p s TRP 421 Cb -0.14 -1.89 0.00 0.00 -0.00 0.00 0.00 33.47 31.44 1k2p s TRP 421 CO -0.09 0.51 0.00 0.54 -0.00 0.00 0.00 176.95 177.91 1k2p n ARG 422 N 2.32 -1.62 -1.23 5.86 5.12 -1.26 -1.11 116.66 124.74 1k2p n ARG 422 Ca -0.19 1.08 -0.11 0.00 -1.93 0.00 0.00 57.85 56.71 1k2p n ARG 422 Cb 0.54 -5.65 -0.05 0.00 -1.16 0.00 0.00 32.46 26.14 1k2p n ARG 422 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k2p n GLY 423 N -0.81 1.01 0.00 -0.13 0.00 -1.26 -4.47 105.19 99.53 1k2p n GLY 423 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1k2p n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2p n GLN 424 N -1.31 1.01 -3.57 1.61 10.64 -1.14 -5.09 117.38 119.53 1k2p n GLN 424 Ca -0.11 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.69 1k2p n GLN 424 Cb 0.42 -0.30 -0.10 0.00 -0.86 0.00 0.00 30.24 29.40 1k2p n GLN 424 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 1k2p s TYR 425 N -0.72 3.25 0.14 2.61 -0.00 -0.27 -4.97 117.35 117.39 1k2p s TYR 425 Ca 0.00 0.19 -0.30 0.00 -0.00 0.00 0.00 57.07 56.97 1k2p s TYR 425 Cb 0.00 -2.38 -0.07 0.00 -0.00 0.00 0.00 41.96 39.51 1k2p s TYR 425 CO 0.00 -0.11 0.95 -0.51 -0.00 0.00 0.00 175.55 175.87 1k2p s ASP 426 N 1.57 7.52 0.15 -0.18 -0.00 -1.26 0.30 116.67 124.77 1k2p s ASP 426 Ca 0.08 1.82 -0.00 0.00 -0.00 0.00 0.00 52.55 54.45 1k2p s ASP 426 Cb -0.15 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.14 1k2p s ASP 426 CO 0.09 -0.00 0.05 0.68 -0.00 0.00 0.00 175.17 175.99 1k2p s VAL 427 N -0.31 0.23 -0.07 -1.27 -7.23 0.13 -3.14 120.40 108.74 1k2p s VAL 427 Ca 0.45 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1k2p s VAL 427 Cb -0.24 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1k2p s VAL 427 CO 0.30 -0.41 -0.24 0.00 -0.31 0.00 0.00 175.10 174.44 1k2p s ALA 428 N -3.97 2.13 -0.32 1.32 0.00 -0.56 -0.63 121.76 119.74 1k2p s ALA 428 Ca 0.26 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1k2p s ALA 428 Cb 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1k2p s ALA 428 CO 0.04 0.36 0.14 -1.50 0.00 0.00 0.00 175.76 174.80 1k2p s ILE 429 N 0.03 4.34 -0.42 0.00 -1.16 0.54 -1.29 121.20 123.23 1k2p s ILE 429 Ca -0.09 -0.64 -0.24 0.00 -0.51 0.00 0.00 60.65 59.17 1k2p s ILE 429 Cb -0.15 -3.28 0.02 0.00 0.61 0.00 0.00 42.46 39.66 1k2p s ILE 429 CO 0.05 -0.00 0.85 -0.75 -2.81 0.00 0.00 174.94 172.28 1k2p s LYS 430 N 1.55 3.62 -0.04 3.50 2.47 0.41 0.04 119.74 131.29 1k2p s LYS 430 Ca 0.03 0.21 -0.06 0.00 -1.56 0.00 0.00 55.97 54.60 1k2p s LYS 430 Cb -0.18 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.28 1k2p s LYS 430 CO 0.05 -1.05 0.20 1.41 0.16 0.00 0.00 175.35 176.12 1k2p s MET 431 N 3.41 3.50 0.00 4.03 -2.45 -0.02 -1.93 119.30 125.84 1k2p s MET 431 Ca 0.34 -0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1k2p s MET 431 Cb -0.12 -3.12 0.00 0.00 1.25 0.00 0.00 34.83 32.84 1k2p s MET 431 CO 0.21 0.70 0.00 -0.89 1.05 0.00 0.00 175.02 176.10 1k2p n ILE 432 N 1.34 0.00 -3.66 10.11 2.08 -1.25 -2.60 119.36 125.39 1k2p n ILE 432 Ca -0.14 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.10 1k2p n ILE 432 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.35 1k2p n ILE 432 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1k2p s LYS 433 N 3.92 0.58 -1.19 0.38 -0.14 -1.26 -4.77 119.74 117.26 1k2p s LYS 433 Ca 0.00 1.16 -0.20 0.00 -1.36 0.00 0.00 55.97 55.57 1k2p s LYS 433 Cb 0.00 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.38 1k2p s LYS 433 CO 0.00 -0.17 1.92 -1.91 -0.76 0.00 0.00 175.35 174.43 1k2p n GLU 434 N 4.61 2.31 0.00 1.68 2.13 -1.26 -2.56 120.64 127.55 1k2p n GLU 434 Ca -0.18 -2.64 0.00 0.00 0.66 0.00 0.00 57.16 55.00 1k2p n GLU 434 Cb 0.55 -3.43 0.00 0.00 0.27 0.00 0.00 31.44 28.84 1k2p n GLU 434 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k2p n GLY 435 N 5.13 0.00 0.62 8.31 0.00 -1.26 -4.97 105.19 113.02 1k2p n GLY 435 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1k2p n GLY 435 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k2p n SER 436 N 0.00 0.00 -4.79 1.61 7.64 -1.06 -5.15 113.62 111.87 1k2p n SER 436 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1k2p n SER 436 Cb 0.00 0.14 0.12 0.00 -1.01 0.00 0.00 64.21 63.46 1k2p n SER 436 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1k2p s MET 437 N -0.31 1.54 0.12 1.43 -2.45 -1.25 -5.09 119.30 113.29 1k2p s MET 437 Ca 0.00 0.48 -0.25 0.00 -1.25 0.00 0.00 55.69 54.67 1k2p s MET 437 Cb 0.00 -1.87 0.07 0.00 1.25 0.00 0.00 34.83 34.29 1k2p s MET 437 CO 0.00 -1.96 0.65 -1.54 1.05 0.00 0.00 175.02 173.21 1k2p s SER 438 N -3.93 -0.55 0.42 1.11 1.04 -1.26 -4.85 113.70 105.68 1k2p s SER 438 Ca 0.62 0.07 0.29 0.00 0.48 0.00 0.00 55.95 57.42 1k2p s SER 438 Cb -0.15 0.56 1.42 0.00 0.10 0.00 0.00 66.02 67.96 1k2p s SER 438 CO 0.54 -0.89 1.88 1.05 0.98 0.00 0.00 173.24 176.81 1k2p h GLU 439 N 2.10 0.00 0.00 4.02 4.11 -1.89 -2.09 114.58 120.83 1k2p h GLU 439 Ca -0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.07 1k2p h GLU 439 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1k2p h GLU 439 CO 0.37 0.00 -1.61 -0.25 0.07 0.00 0.00 179.01 177.59 1k2p n ASP 440 N -2.57 0.39 -0.03 3.06 8.00 -1.26 -3.60 116.55 120.54 1k2p n ASP 440 Ca -0.00 0.16 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 1k2p n ASP 440 Cb 0.14 1.18 -0.13 0.00 -0.02 0.00 0.00 41.12 42.29 1k2p n ASP 440 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k2p h GLU 441 N 0.00 0.14 -0.01 -1.24 -0.00 -1.79 -3.38 114.58 108.31 1k2p h GLU 441 Ca -0.06 -0.24 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 1k2p h GLU 441 Cb 1.15 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1k2p h GLU 441 CO 0.01 1.12 -0.13 1.97 -0.00 0.00 0.00 179.01 181.97 1k2p n PHE 442 N -4.25 0.00 -0.26 2.06 -0.00 -1.07 -4.05 117.46 109.89 1k2p n PHE 442 Ca -0.20 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.26 1k2p n PHE 442 Cb 0.73 -0.08 0.14 0.00 -0.00 0.00 0.00 39.48 40.26 1k2p n PHE 442 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1k2p h ILE 443 N 1.49 0.93 0.50 1.97 6.09 -1.73 0.92 117.51 127.67 1k2p h ILE 443 Ca 0.00 -0.25 -0.02 0.00 -1.37 0.00 0.00 64.86 63.21 1k2p h ILE 443 Cb 0.46 0.13 0.00 0.00 0.47 0.00 0.00 36.82 37.88 1k2p h ILE 443 CO 0.00 0.14 -0.24 -0.08 -3.07 0.00 0.00 178.15 174.90 1k2p h GLU 444 N 0.74 -0.64 -0.78 2.19 4.22 -1.83 -2.62 114.58 115.86 1k2p h GLU 444 Ca 0.35 0.04 0.16 0.00 0.08 0.00 0.00 59.36 60.00 1k2p h GLU 444 Cb 0.28 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1k2p h GLU 444 CO -0.22 -0.43 0.52 0.93 -2.18 0.00 0.00 179.01 177.63 1k2p h GLU 445 N -0.67 0.39 0.49 1.92 5.08 -1.65 -2.32 114.58 117.81 1k2p h GLU 445 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1k2p h GLU 445 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1k2p h GLU 445 CO 0.11 0.26 -0.24 0.00 -1.00 0.00 0.00 179.01 178.14 1k2p h ALA 446 N 1.64 -0.66 -0.87 3.43 0.00 0.97 0.83 119.26 124.60 1k2p h ALA 446 Ca 0.39 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1k2p h ALA 446 Cb 0.93 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1k2p h ALA 446 CO -0.12 -0.82 0.54 0.87 0.00 0.00 0.00 179.25 179.72 1k2p h LYS 447 N -0.77 0.96 -0.63 0.00 1.79 -1.05 -0.07 116.57 116.81 1k2p h LYS 447 Ca -0.07 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 1k2p h LYS 447 Cb 0.55 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1k2p h LYS 447 CO 0.11 0.63 0.10 0.28 -1.08 0.00 0.00 179.45 179.49 1k2p h VAL 448 N 0.98 1.26 -0.05 0.50 2.07 -1.23 -2.47 116.25 117.31 1k2p h VAL 448 Ca 0.38 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 1k2p h VAL 448 Cb 0.17 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1k2p h VAL 448 CO -0.17 0.37 -0.62 0.24 0.02 0.00 0.00 177.57 177.41 1k2p h MET 449 N 0.96 0.18 0.00 1.57 2.86 0.03 -2.19 114.93 118.34 1k2p h MET 449 Ca 0.19 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1k2p h MET 449 Cb 0.42 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1k2p h MET 449 CO 0.01 0.75 0.00 -1.33 1.06 0.00 0.00 176.91 177.40 1k2p n MET 450 N -3.84 0.02 0.03 1.72 2.00 -0.12 -0.66 117.12 116.26 1k2p n MET 450 Ca -0.02 0.20 0.14 0.00 0.00 0.00 0.00 57.70 58.01 1k2p n MET 450 Cb 0.63 -1.50 0.56 0.00 0.00 0.00 0.00 33.22 32.91 1k2p n MET 450 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1k2p n ASN 451 N -1.49 0.23 -4.48 7.83 5.03 -0.82 -4.61 115.26 116.95 1k2p n ASN 451 Ca 0.04 0.52 -0.43 0.00 0.87 0.00 0.00 54.58 55.59 1k2p n ASN 451 Cb 0.20 -0.58 -0.09 0.00 -1.02 0.00 0.00 39.78 38.29 1k2p n ASN 451 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1k2p s LEU 452 N -3.43 4.90 -0.04 3.41 1.02 0.16 -5.04 118.68 119.67 1k2p s LEU 452 Ca 0.13 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1k2p s LEU 452 Cb 0.17 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 44.04 1k2p s LEU 452 CO 0.55 -0.57 -0.03 -0.44 0.02 0.00 0.00 176.35 175.88 1k2p s SER 453 N 1.81 0.77 -0.29 2.29 0.01 -1.26 -4.88 113.70 112.14 1k2p s SER 453 Ca 0.11 -0.10 -0.21 0.00 1.31 0.00 0.00 55.95 57.06 1k2p s SER 453 Cb -0.17 -0.38 0.17 0.00 0.21 0.00 0.00 66.02 65.85 1k2p s SER 453 CO 0.13 -0.06 1.20 -2.28 0.41 0.00 0.00 173.24 172.64 1k2p s HIS 454 N 0.91 -0.28 0.00 2.43 5.04 -1.26 -5.02 115.29 117.11 1k2p s HIS 454 Ca -0.11 0.61 0.16 0.00 -1.54 0.00 0.00 55.06 54.17 1k2p s HIS 454 Cb -0.14 0.32 0.85 0.00 0.04 0.00 0.00 32.58 33.65 1k2p s HIS 454 CO -0.00 -0.13 1.40 1.49 -2.34 0.00 0.00 174.74 175.15 1k2p h GLU 455 N 4.53 0.00 -0.31 2.88 4.57 -2.00 -0.56 114.58 123.70 1k2p h GLU 455 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1k2p h GLU 455 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1k2p h GLU 455 CO 0.18 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.64 1k2p n LYS 456 N -2.13 2.18 -4.80 1.92 4.76 -1.26 -4.91 118.16 113.93 1k2p n LYS 456 Ca -0.01 -2.00 -0.33 0.00 -2.87 0.00 0.00 58.31 53.10 1k2p n LYS 456 Cb 0.26 -1.39 -0.13 0.00 -1.84 0.00 0.00 35.03 31.93 1k2p n LYS 456 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k2p s LEU 457 N -1.23 2.83 -0.10 -0.35 1.43 -0.22 -1.59 118.68 119.45 1k2p s LEU 457 Ca 0.30 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1k2p s LEU 457 Cb 0.17 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1k2p s LEU 457 CO 0.24 0.30 1.40 -0.69 0.23 0.00 0.00 176.35 177.84 1k2p s VAL 458 N -0.48 3.98 0.12 -1.59 1.01 -0.28 -4.71 120.40 118.46 1k2p s VAL 458 Ca 0.06 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 1k2p s VAL 458 Cb -0.12 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1k2p s VAL 458 CO 0.02 -0.09 0.88 0.00 0.00 0.00 0.00 175.10 175.91 1k2p s GLN 459 N 3.47 4.66 -0.51 2.72 -2.07 -1.26 -4.87 119.66 121.80 1k2p s GLN 459 Ca 0.62 1.32 -0.25 0.00 -1.82 0.00 0.00 55.36 55.23 1k2p s GLN 459 Cb -0.27 -3.34 0.03 0.00 -1.09 0.00 0.00 33.01 28.35 1k2p s GLN 459 CO 0.21 0.34 0.95 -1.17 -1.32 0.00 0.00 175.29 174.29 1k2p s LEU 460 N -0.39 4.02 0.13 2.60 0.20 -1.26 -1.73 118.68 122.25 1k2p s LEU 460 Ca 0.42 -0.09 -0.12 0.00 0.69 0.00 0.00 54.13 55.03 1k2p s LEU 460 Cb -0.23 -3.03 -0.09 0.00 -0.43 0.00 0.00 46.19 42.41 1k2p s LEU 460 CO 0.28 -1.15 1.41 1.88 -0.29 0.00 0.00 176.35 178.48 1k2p h TYR 461 N 9.21 1.12 0.00 5.38 -1.99 -1.30 -3.47 116.97 125.91 1k2p h TYR 461 Ca -0.25 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.08 1k2p h TYR 461 Cb 1.07 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.59 1k2p h TYR 461 CO 0.90 1.23 0.00 0.41 -0.00 0.00 0.00 178.16 180.70 1k2p n GLY 462 N 0.36 0.34 3.07 3.88 0.00 -1.09 -4.98 105.19 106.78 1k2p n GLY 462 Ca -0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1k2p n GLY 462 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2p s VAL 463 N -2.00 0.64 -1.03 1.61 -7.23 -1.26 -0.38 120.40 110.75 1k2p s VAL 463 Ca 0.00 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.95 1k2p s VAL 463 Cb 0.00 -0.67 0.11 0.00 0.56 0.00 0.00 36.38 36.38 1k2p s VAL 463 CO 0.00 -0.30 1.31 0.00 -0.31 0.00 0.00 175.10 175.81 1k2p n THR 465 N 5.80 1.97 -3.02 0.00 -2.24 -1.26 -4.42 114.28 111.11 1k2p n THR 465 Ca 0.31 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1k2p n THR 465 Cb 0.48 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 1k2p n THR 465 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1k2p n LYS 466 N 7.36 0.00 -4.05 -0.78 3.00 -1.26 -4.60 118.16 117.83 1k2p n LYS 466 Ca 0.48 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.48 1k2p n LYS 466 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.29 1k2p n LYS 466 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1k2p s GLN 467 N 0.10 2.50 0.00 1.64 2.00 -1.26 -3.15 119.66 121.49 1k2p s GLN 467 Ca 0.00 -0.65 0.00 0.00 -2.00 0.00 0.00 55.36 52.71 1k2p s GLN 467 Cb 0.00 -2.26 0.00 0.00 0.80 0.00 0.00 33.01 31.55 1k2p s GLN 467 CO 0.00 -0.24 0.00 2.89 -0.50 0.00 0.00 175.29 177.44 1k2p n ARG 468 N 4.72 -1.93 -1.65 1.67 1.85 -1.26 -5.04 116.66 115.02 1k2p n ARG 468 Ca -0.18 0.00 -0.53 0.00 -1.00 0.00 0.00 57.85 56.14 1k2p n ARG 468 Cb 0.50 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 1k2p n ARG 468 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1k2p n PRO 469 N -0.87 1.48 -1.78 2.89 -0.02 -1.26 -4.48 135.00 130.96 1k2p n PRO 469 Ca 0.00 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1k2p n PRO 469 Cb 0.00 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1k2p n PRO 469 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k2p s ILE 470 N 4.49 3.22 -1.18 4.25 -1.09 -1.26 -4.63 121.20 125.00 1k2p s ILE 470 Ca 0.99 0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 1k2p s ILE 470 Cb -0.90 -3.22 0.11 0.00 -1.58 0.00 0.00 42.46 36.87 1k2p s ILE 470 CO 0.58 -0.09 1.51 -0.36 -1.23 0.00 0.00 174.94 175.35 1k2p s PHE 471 N 5.98 3.05 0.23 3.97 0.08 -1.26 -3.74 117.98 126.29 1k2p s PHE 471 Ca 0.87 -1.66 -0.28 0.00 0.12 0.00 0.00 56.93 55.98 1k2p s PHE 471 Cb -0.34 -4.53 -0.09 0.00 -0.57 0.00 0.00 43.02 37.49 1k2p s PHE 471 CO 0.36 -1.64 0.89 0.42 -0.10 0.00 0.00 175.22 175.15 1k2p s ILE 472 N 3.19 4.18 -0.19 0.64 1.01 -0.81 -2.25 121.20 126.97 1k2p s ILE 472 Ca 0.46 1.93 -0.00 0.00 0.00 0.00 0.00 60.65 63.04 1k2p s ILE 472 Cb -0.00 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1k2p s ILE 472 CO 0.00 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.61 1k2p s ILE 473 N -1.23 2.40 0.49 2.92 1.09 0.49 -0.45 121.20 126.91 1k2p s ILE 473 Ca 0.41 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 59.14 1k2p s ILE 473 Cb -0.24 -2.04 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 1k2p s ILE 473 CO 0.29 0.50 0.01 0.42 -0.10 0.00 0.00 174.94 176.06 1k2p s THR 474 N 1.34 1.22 -0.12 2.92 -4.23 -0.41 -0.82 115.64 115.53 1k2p s THR 474 Ca 0.05 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 1k2p s THR 474 Cb -0.13 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1k2p s THR 474 CO -0.10 0.00 1.54 -0.70 -0.54 0.00 0.00 174.62 174.82 1k2p s GLU 475 N -3.85 4.12 0.06 3.99 2.12 -0.70 -1.49 118.70 122.95 1k2p s GLU 475 Ca 0.11 1.94 -0.31 0.00 0.36 0.00 0.00 54.97 57.07 1k2p s GLU 475 Cb 0.03 -3.94 -0.07 0.00 0.26 0.00 0.00 34.13 30.41 1k2p s GLU 475 CO 0.06 -0.90 1.44 -0.47 -0.54 0.00 0.00 175.26 174.85 1k2p s TYR 476 N 4.12 2.92 -0.42 5.30 5.04 -1.19 -4.69 117.35 128.44 1k2p s TYR 476 Ca 0.68 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1k2p s TYR 476 Cb -0.28 -3.72 0.11 0.00 0.35 0.00 0.00 41.96 38.41 1k2p s TYR 476 CO 0.25 -2.68 0.21 -1.64 -1.34 0.00 0.00 175.55 170.36 1k2p s MET 477 N 1.96 2.01 0.52 4.97 -1.94 -1.26 -4.94 119.30 120.62 1k2p s MET 477 Ca 0.66 -1.88 0.36 0.00 -1.71 0.00 0.00 55.69 53.12 1k2p s MET 477 Cb -0.35 -3.57 1.53 0.00 2.01 0.00 0.00 34.83 34.44 1k2p s MET 477 CO 0.29 -1.07 1.76 0.00 -0.01 0.00 0.00 175.02 175.98 1k2p h ALA 478 N 7.94 3.12 -0.73 3.03 0.00 -1.85 -1.78 119.26 128.98 1k2p h ALA 478 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k2p h ALA 478 Cb 1.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k2p h ALA 478 CO 0.69 -1.51 0.00 0.09 0.00 0.00 0.00 179.25 178.52 1k2p n ASN 479 N -4.22 3.94 0.00 0.00 3.02 0.36 -4.84 115.26 113.52 1k2p n ASN 479 Ca 0.29 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 1k2p n ASN 479 Cb 1.33 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1k2p n ASN 479 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2p n GLY 480 N 1.67 0.20 3.82 7.41 0.00 -0.67 -4.68 105.19 112.94 1k2p n GLY 480 Ca 0.25 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1k2p n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2p h LEU 482 N 2.53 0.76 -0.75 0.00 5.85 -0.52 -2.00 115.31 121.18 1k2p h LEU 482 Ca -0.48 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.39 1k2p h LEU 482 Cb 1.18 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1k2p h LEU 482 CO 0.64 0.46 0.36 -0.07 -0.34 0.00 0.00 178.44 179.50 1k2p h LEU 483 N 0.88 0.44 -0.52 2.25 3.38 -1.76 0.25 115.31 120.23 1k2p h LEU 483 Ca 0.38 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.31 1k2p h LEU 483 Cb 0.26 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1k2p h LEU 483 CO -0.20 0.22 -0.55 0.78 0.09 0.00 0.00 178.44 178.78 1k2p h ASN 484 N 0.58 0.00 0.04 -0.43 -0.26 -1.79 -3.22 115.58 110.50 1k2p h ASN 484 Ca 0.39 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1k2p h ASN 484 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1k2p h ASN 484 CO -0.32 0.55 -0.02 0.22 -1.06 0.00 0.00 177.43 176.80 1k2p h TYR 485 N 0.00 -0.05 -0.92 1.19 3.20 -0.23 -3.02 116.97 117.15 1k2p h TYR 485 Ca -0.01 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.02 1k2p h TYR 485 Cb 1.19 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.41 1k2p h TYR 485 CO 0.00 0.46 0.59 -0.07 -1.64 0.00 0.00 178.16 177.50 1k2p h LEU 486 N -0.59 0.65 -0.33 2.82 3.38 -0.68 0.29 115.31 120.86 1k2p h LEU 486 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1k2p h LEU 486 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1k2p h LEU 486 CO 0.01 0.31 -0.01 0.54 0.09 0.00 0.00 178.44 179.38 1k2p n ARG 487 N -4.58 1.19 -1.44 1.13 5.12 -1.21 -4.59 116.66 112.28 1k2p n ARG 487 Ca 0.19 -0.33 -0.54 0.00 -1.93 0.00 0.00 57.85 55.23 1k2p n ARG 487 Cb 0.51 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1k2p n ARG 487 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1k2p n GLU 488 N -0.62 0.00 0.00 5.56 0.28 0.10 -4.86 120.64 121.10 1k2p n GLU 488 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1k2p n GLU 488 Cb 0.20 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1k2p n GLU 488 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1k2p n MET 489 N 1.32 0.00 -2.25 3.44 2.81 -1.26 -2.90 117.12 118.28 1k2p n MET 489 Ca 0.19 0.28 -0.34 0.00 -1.81 0.00 0.00 57.70 56.02 1k2p n MET 489 Cb 0.13 -0.55 -0.04 0.00 -0.71 0.00 0.00 33.22 32.05 1k2p n MET 489 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1k2p s ARG 490 N -1.08 2.94 -0.34 0.03 1.81 -1.26 -4.85 118.95 116.20 1k2p s ARG 490 Ca 0.00 -0.39 -0.03 0.00 -1.72 0.00 0.00 55.73 53.58 1k2p s ARG 490 Cb 0.00 -4.96 -0.08 0.00 -0.45 0.00 0.00 34.95 29.47 1k2p s ARG 490 CO 0.00 -2.81 1.84 0.72 -0.68 0.00 0.00 175.30 174.37 1k2p n HIS 491 N 11.80 0.50 -2.08 -0.53 8.25 -1.14 -4.76 115.22 127.26 1k2p n HIS 491 Ca 0.31 -1.11 -0.42 0.00 -0.26 0.00 0.00 57.72 56.24 1k2p n HIS 491 Cb 0.49 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1k2p n HIS 491 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k2p n ARG 492 N 3.56 3.06 -4.26 -0.41 1.74 -1.26 -4.89 116.66 114.20 1k2p n ARG 492 Ca 0.26 -2.95 -0.30 0.00 -0.77 0.00 0.00 57.85 54.09 1k2p n ARG 492 Cb 0.25 -3.29 -0.16 0.00 -1.02 0.00 0.00 32.46 28.24 1k2p n ARG 492 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1k2p s PHE 493 N 3.05 2.22 0.03 -1.55 0.40 -1.26 -5.12 117.98 115.74 1k2p s PHE 493 Ca 0.48 -1.18 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1k2p s PHE 493 Cb 0.10 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1k2p s PHE 493 CO -0.03 -0.61 0.09 -0.65 0.70 0.00 0.00 175.22 174.72 1k2p s GLN 494 N 1.22 3.04 0.50 0.44 1.11 -1.26 -4.99 119.66 119.72 1k2p s GLN 494 Ca -0.00 -0.54 0.30 0.00 0.01 0.00 0.00 55.36 55.12 1k2p s GLN 494 Cb -0.14 -2.83 1.41 0.00 -1.01 0.00 0.00 33.01 30.44 1k2p s GLN 494 CO -0.07 0.62 1.83 1.15 0.01 0.00 0.00 175.29 178.83 1k2p h THR 495 N 2.94 0.49 -0.06 -0.19 2.02 -1.98 -0.29 112.91 115.84 1k2p h THR 495 Ca -0.48 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 66.69 1k2p h THR 495 Cb 1.17 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1k2p h THR 495 CO 0.64 0.02 -0.14 1.56 0.37 0.00 0.00 175.52 177.98 1k2p h GLN 496 N 0.11 -0.20 0.00 6.66 7.50 -1.98 0.65 115.11 127.85 1k2p h GLN 496 Ca 0.52 0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.57 1k2p h GLN 496 Cb 1.87 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.43 1k2p h GLN 496 CO -0.08 -0.13 -0.58 0.37 -1.50 0.00 0.00 178.83 176.91 1k2p h GLN 497 N -0.20 0.00 -0.67 1.46 5.75 -1.50 -2.62 115.11 117.32 1k2p h GLN 497 Ca 0.07 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1k2p h GLN 497 Cb 0.30 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1k2p h GLN 497 CO -0.18 0.58 0.28 1.25 -2.65 0.00 0.00 178.83 178.12 1k2p h LEU 498 N 0.00 0.92 -0.35 -2.39 5.85 -0.66 -2.36 115.31 116.31 1k2p h LEU 498 Ca -0.01 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.38 1k2p h LEU 498 Cb 1.29 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1k2p h LEU 498 CO 0.08 0.83 -0.46 0.25 -0.34 0.00 0.00 178.44 178.80 1k2p h LEU 499 N 0.95 0.99 -1.06 2.25 7.12 -0.81 -2.83 115.31 121.92 1k2p h LEU 499 Ca 0.23 -0.49 0.16 0.00 0.13 0.00 0.00 57.88 57.91 1k2p h LEU 499 Cb 0.19 -0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 39.94 1k2p h LEU 499 CO -0.02 1.29 0.62 -0.33 -0.13 0.00 0.00 178.44 179.87 1k2p h GLU 500 N 0.72 0.80 -0.03 1.25 4.39 -1.08 0.23 114.58 120.86 1k2p h GLU 500 Ca 0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k2p h GLU 500 Cb 1.06 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1k2p h GLU 500 CO 0.11 0.53 0.01 0.52 -1.16 0.00 0.00 179.01 179.02 1k2p h MET 501 N 0.82 0.04 -0.40 2.33 2.86 -1.19 0.54 114.93 119.93 1k2p h MET 501 Ca 0.53 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.23 1k2p h MET 501 Cb 0.76 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1k2p h MET 501 CO -0.31 0.13 0.27 0.00 1.06 0.00 0.00 176.91 178.06 1k2p h LYS 503 N 0.27 0.39 -0.57 0.00 3.64 -0.21 0.21 116.57 120.31 1k2p h LYS 503 Ca 0.18 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1k2p h LYS 503 Cb 0.35 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1k2p h LYS 503 CO -0.04 0.88 0.36 -0.44 -2.27 0.00 0.00 179.45 177.94 1k2p h ASP 504 N -0.04 0.59 -0.35 4.20 3.32 -0.16 -0.03 116.42 123.96 1k2p h ASP 504 Ca -0.00 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1k2p h ASP 504 Cb 0.90 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1k2p h ASP 504 CO 0.06 0.42 -0.24 0.58 -1.72 0.00 0.00 179.24 178.34 1k2p h VAL 505 N 0.71 1.29 -0.73 -1.35 2.07 -1.30 -2.88 116.25 114.05 1k2p h VAL 505 Ca 0.22 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1k2p h VAL 505 Cb -0.01 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1k2p h VAL 505 CO -0.08 0.46 0.27 0.00 0.02 0.00 0.00 177.57 178.23 1k2p h GLU 507 N 1.06 0.48 -0.49 0.00 5.08 -0.98 0.80 114.58 120.53 1k2p h GLU 507 Ca 0.24 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1k2p h GLU 507 Cb 0.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1k2p h GLU 507 CO -0.01 0.34 0.20 0.00 -1.00 0.00 0.00 179.01 178.53 1k2p h ALA 508 N 1.12 0.64 0.00 3.43 0.00 -1.26 -1.05 119.26 122.14 1k2p h ALA 508 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1k2p h ALA 508 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1k2p h ALA 508 CO -0.03 0.25 -0.46 0.52 0.00 0.00 0.00 179.25 179.53 1k2p h MET 509 N 0.66 0.00 -0.12 0.00 2.86 -0.43 -1.80 114.93 116.10 1k2p h MET 509 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1k2p h MET 509 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1k2p h MET 509 CO -0.01 0.46 -0.04 1.49 1.06 0.00 0.00 176.91 179.87 1k2p h GLU 510 N 0.00 0.23 0.00 1.72 4.22 0.11 0.61 114.58 121.48 1k2p h GLU 510 Ca -0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 59.26 1k2p h GLU 510 Cb 0.86 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1k2p h GLU 510 CO 0.06 0.56 -0.40 1.88 -2.18 0.00 0.00 179.01 178.93 1k2p h TYR 511 N -0.10 0.00 -0.39 0.92 -1.99 -1.08 -0.17 116.97 114.16 1k2p h TYR 511 Ca 0.03 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 1k2p h TYR 511 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1k2p h TYR 511 CO 0.06 0.40 -0.32 -0.07 -0.00 0.00 0.00 178.16 178.23 1k2p h LEU 512 N 0.00 0.96 0.09 3.88 3.38 -1.19 -0.16 115.31 122.27 1k2p h LEU 512 Ca -0.00 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1k2p h LEU 512 Cb 0.75 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1k2p h LEU 512 CO 0.05 1.20 -0.13 -0.08 0.09 0.00 0.00 178.44 179.58 1k2p h GLU 513 N 0.72 -0.25 -0.71 1.13 4.81 -0.17 0.21 114.58 120.31 1k2p h GLU 513 Ca 0.07 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1k2p h GLU 513 Cb 0.90 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1k2p h GLU 513 CO 0.08 -0.17 0.44 0.66 -0.73 0.00 0.00 179.01 179.30 1k2p h SER 514 N -0.26 0.73 0.00 1.04 4.64 -0.96 -0.73 113.55 118.00 1k2p h SER 514 Ca 0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1k2p h SER 514 Cb 0.27 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1k2p h SER 514 CO -0.06 0.50 0.00 1.17 -0.87 0.00 0.00 176.83 177.57 1k2p n LYS 515 N -4.66 0.75 -3.52 4.77 3.00 -0.08 -4.88 118.16 113.54 1k2p n LYS 515 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.17 1k2p n LYS 515 Cb 0.09 -1.44 0.08 0.00 0.00 0.00 0.00 35.03 33.76 1k2p n LYS 515 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1k2p n GLN 516 N -0.94 -7.42 -4.10 1.64 1.13 -0.28 -5.01 117.38 102.40 1k2p n GLN 516 Ca 0.16 0.80 -0.33 0.00 -1.94 0.00 0.00 57.00 55.69 1k2p n GLN 516 Cb 0.07 -5.76 -0.16 0.00 0.11 0.00 0.00 30.24 24.50 1k2p n GLN 516 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1k2p s PHE 517 N -3.32 2.95 0.19 1.08 5.36 0.57 -4.22 117.98 120.60 1k2p s PHE 517 Ca 0.44 -1.87 -0.24 0.00 -0.96 0.00 0.00 56.93 54.30 1k2p s PHE 517 Cb -0.19 -1.93 -0.08 0.00 -0.34 0.00 0.00 43.02 40.48 1k2p s PHE 517 CO 0.70 -0.83 0.79 -0.51 -1.46 0.00 0.00 175.22 173.91 1k2p s LEU 518 N 1.23 4.52 0.04 6.12 1.43 0.97 -4.33 118.68 128.66 1k2p s LEU 518 Ca 0.00 1.63 0.13 0.00 -1.03 0.00 0.00 54.13 54.86 1k2p s LEU 518 Cb -0.15 -3.43 -0.18 0.00 0.03 0.00 0.00 46.19 42.45 1k2p s LEU 518 CO -0.10 0.15 0.89 -0.74 0.23 0.00 0.00 176.35 176.78 1k2p h HIS 519 N 4.03 0.00 0.00 0.29 -0.00 -1.88 -3.07 115.15 114.51 1k2p h HIS 519 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1k2p h HIS 519 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 1k2p h HIS 519 CO 0.64 0.86 0.00 -2.13 -0.00 0.00 0.00 177.93 177.30 1k2p n ARG 520 N -3.09 0.00 -3.51 5.26 0.63 -1.26 -4.53 116.66 110.16 1k2p n ARG 520 Ca -0.10 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.55 1k2p n ARG 520 Cb 0.95 -0.13 -0.11 0.00 0.45 0.00 0.00 32.46 33.62 1k2p n ARG 520 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1k2p s ASP 521 N 0.00 2.34 -0.33 6.15 3.68 -1.26 -5.02 116.67 122.24 1k2p s ASP 521 Ca 0.00 -3.10 -0.12 0.00 2.13 0.00 0.00 52.55 51.46 1k2p s ASP 521 Cb 0.00 -0.69 -0.02 0.00 -1.45 0.00 0.00 42.92 40.76 1k2p s ASP 521 CO 0.00 -0.17 0.22 -0.22 0.13 0.00 0.00 175.17 175.12 1k2p s LEU 522 N -0.11 4.39 0.19 -1.34 2.96 -1.26 -4.86 118.68 118.65 1k2p s LEU 522 Ca 0.29 -0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 53.58 1k2p s LEU 522 Cb -0.02 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.61 1k2p s LEU 522 CO -0.16 -0.21 0.68 0.00 -1.32 0.00 0.00 176.35 175.34 1k2p s ALA 523 N 1.71 -1.48 0.52 5.97 0.00 -1.26 -4.67 121.76 122.54 1k2p s ALA 523 Ca 0.06 0.22 0.31 0.00 0.00 0.00 0.00 51.96 52.56 1k2p s ALA 523 Cb -0.17 0.83 1.76 0.00 0.00 0.00 0.00 23.12 25.54 1k2p s ALA 523 CO 0.10 -0.87 2.19 0.00 0.00 0.00 0.00 175.76 177.18 1k2p h ALA 524 N 2.00 1.33 0.00 0.00 0.00 -1.94 -0.77 119.26 119.88 1k2p h ALA 524 Ca -0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1k2p h ALA 524 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1k2p h ALA 524 CO 0.32 0.06 -0.23 0.07 0.00 0.00 0.00 179.25 179.46 1k2p h ARG 525 N 0.00 0.00 -0.65 0.00 0.11 -1.95 -2.63 114.38 109.26 1k2p h ARG 525 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1k2p h ARG 525 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1k2p h ARG 525 CO 0.01 0.23 0.00 0.09 0.10 0.00 0.00 179.97 180.40 1k2p n ASN 526 N -3.59 4.34 -4.42 0.08 5.03 -0.30 -4.83 115.26 111.57 1k2p n ASN 526 Ca -0.01 -2.38 -0.31 0.00 0.87 0.00 0.00 54.58 52.74 1k2p n ASN 526 Cb 0.37 -0.55 -0.14 0.00 -1.02 0.00 0.00 39.78 38.45 1k2p n ASN 526 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k2p s LEU 528 N -0.98 2.86 -0.05 0.00 1.43 -0.38 -0.11 118.68 121.45 1k2p s LEU 528 Ca 0.12 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1k2p s LEU 528 Cb -0.10 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1k2p s LEU 528 CO 0.02 0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.79 1k2p s VAL 529 N -2.31 1.29 0.59 -1.59 1.01 0.11 -1.03 120.40 118.47 1k2p s VAL 529 Ca 0.30 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1k2p s VAL 529 Cb -0.06 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.30 1k2p s VAL 529 CO 0.17 0.38 0.82 -0.46 0.00 0.00 0.00 175.10 176.00 1k2p n ASN 530 N 3.31 1.84 0.26 3.32 0.23 -0.77 -0.49 115.26 122.95 1k2p n ASN 530 Ca -0.19 -2.38 0.16 0.00 -0.53 0.00 0.00 54.58 51.64 1k2p n ASN 530 Cb 0.53 -0.46 0.72 0.00 -2.08 0.00 0.00 39.78 38.49 1k2p n ASN 530 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1k2p h ASP 531 N -0.07 0.00 0.71 0.53 3.04 -1.90 -0.87 116.42 117.85 1k2p h ASP 531 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1k2p h ASP 531 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1k2p h ASP 531 CO 0.36 0.00 -0.73 1.67 -2.04 0.00 0.00 179.24 178.51 1k2p n GLN 532 N -3.08 0.27 -0.05 4.15 -0.06 -1.26 -4.93 117.38 112.42 1k2p n GLN 532 Ca 0.01 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1k2p n GLN 532 Cb 0.53 -1.64 0.00 0.00 -4.06 0.00 0.00 30.24 25.06 1k2p n GLN 532 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2p n GLY 533 N 1.36 0.64 3.71 1.69 0.00 -0.33 -5.06 105.19 107.20 1k2p n GLY 533 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1k2p n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2p s VAL 534 N -2.07 4.23 -0.20 1.61 1.01 -1.26 -4.83 120.40 118.90 1k2p s VAL 534 Ca 0.00 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 1k2p s VAL 534 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1k2p s VAL 534 CO 0.00 0.11 0.26 -0.69 0.00 0.00 0.00 175.10 174.79 1k2p s VAL 535 N 1.14 5.31 -0.02 2.92 1.01 -1.26 -1.85 120.40 127.65 1k2p s VAL 535 Ca 0.57 0.45 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1k2p s VAL 535 Cb -0.27 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1k2p s VAL 535 CO 0.28 0.35 -0.13 -0.54 0.00 0.00 0.00 175.10 175.07 1k2p s LYS 536 N 0.83 1.11 0.24 2.72 1.02 -0.20 -4.37 119.74 121.09 1k2p s LYS 536 Ca 0.14 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1k2p s LYS 536 Cb -0.13 -1.05 -0.09 0.00 -0.52 0.00 0.00 37.83 36.04 1k2p s LYS 536 CO 0.04 0.24 0.91 0.54 -0.92 0.00 0.00 175.35 176.16 1k2p s VAL 537 N -0.16 4.14 0.00 3.17 0.11 -0.62 -1.24 120.40 125.79 1k2p s VAL 537 Ca 0.02 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.06 1k2p s VAL 537 Cb -0.06 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1k2p s VAL 537 CO -0.00 0.45 0.00 -0.24 -3.33 0.00 0.00 175.10 171.98 1k2p n SER 538 N 1.37 0.04 -2.14 3.54 2.88 -0.72 -1.12 113.62 117.47 1k2p n SER 538 Ca -0.02 -0.12 -0.20 0.00 -1.33 0.00 0.00 58.87 57.20 1k2p n SER 538 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1k2p n SER 538 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k2p n ASP 539 N -0.35 -5.56 -4.83 -3.46 8.00 -1.26 -4.79 116.55 104.30 1k2p n ASP 539 Ca 0.00 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 1k2p n ASP 539 Cb 0.00 -4.73 -0.04 0.00 -0.02 0.00 0.00 41.12 36.33 1k2p n ASP 539 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1k2p s PHE 540 N -2.90 3.16 0.00 1.24 -0.71 -1.26 -4.84 117.98 112.68 1k2p s PHE 540 Ca 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1k2p s PHE 540 Cb 0.00 -1.46 0.00 0.00 -1.21 0.00 0.00 43.02 40.35 1k2p s PHE 540 CO 0.00 0.51 0.00 0.41 -1.34 0.00 0.00 175.22 174.80 1k2p n GLY 541 N -0.91 0.36 0.00 1.99 0.00 -1.26 -4.80 105.19 100.58 1k2p n GLY 541 Ca -0.08 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1k2p n GLY 541 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1k2p n LEU 542 N 0.00 0.00 -4.69 0.99 -0.00 -1.26 -4.71 117.00 107.33 1k2p n LEU 542 Ca 0.00 0.13 -0.42 0.00 -0.00 0.00 0.00 56.01 55.72 1k2p n LEU 542 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 1k2p n LEU 542 CO 0.00 -0.03 1.42 -0.44 -0.00 0.00 0.00 177.39 178.34 1k2p s SER 543 N -2.26 6.50 1.20 1.45 0.01 -1.26 -4.95 113.70 114.40 1k2p s SER 543 Ca 0.31 2.63 -0.13 0.00 1.31 0.00 0.00 55.95 60.07 1k2p s SER 543 Cb 0.17 -2.56 0.31 0.00 0.21 0.00 0.00 66.02 64.14 1k2p s SER 543 CO 0.32 -0.96 1.01 -0.13 0.41 0.00 0.00 173.24 173.90 1k2p s ARG 544 N 2.84 -1.24 0.00 12.44 1.81 -1.16 -4.71 118.95 128.93 1k2p s ARG 544 Ca 0.78 0.81 0.00 0.00 -1.72 0.00 0.00 55.73 55.60 1k2p s ARG 544 Cb -0.43 -1.52 0.00 0.00 -0.45 0.00 0.00 34.95 32.55 1k2p s ARG 544 CO 0.35 -3.93 0.00 0.98 -0.68 0.00 0.00 175.30 172.02 1k2p n TYR 545 N -5.06 0.00 -4.04 -0.53 4.19 -1.26 -0.02 117.16 110.44 1k2p n TYR 545 Ca 0.02 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.10 1k2p n TYR 545 Cb 0.54 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.34 1k2p n TYR 545 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1k2p s VAL 546 N 3.33 0.00 0.00 2.97 -7.23 -1.26 -4.55 120.40 113.66 1k2p s VAL 546 Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k2p s VAL 546 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1k2p s VAL 546 CO 0.00 0.00 0.00 -0.11 -0.31 0.00 0.00 175.10 174.68 1k2p n LEU 547 N -0.53 0.00 0.49 1.32 7.94 -1.26 -5.04 117.00 119.91 1k2p n LEU 547 Ca -0.01 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.70 1k2p n LEU 547 Cb 0.61 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.47 1k2p n LEU 547 CO 0.28 0.00 0.51 -0.78 -1.11 0.00 0.00 177.39 176.29 1k2p h ASP 548 N 0.00 -1.06 0.00 1.96 -0.00 -2.06 -3.44 116.42 111.82 1k2p h ASP 548 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1k2p h ASP 548 Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.60 1k2p h ASP 548 CO 0.00 -0.73 0.00 0.47 -0.00 0.00 0.00 179.24 178.98 1k2p n ASP 549 N -5.50 0.00 0.00 2.28 9.92 -1.26 -5.16 116.55 116.82 1k2p n ASP 549 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1k2p n ASP 549 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1k2p n ASP 549 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1k2p n GLU 550 N 0.00 0.00 -0.32 -1.24 -0.00 -1.26 -5.00 120.64 112.82 1k2p n GLU 550 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1k2p n GLU 550 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1k2p n GLU 550 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1k2p n TYR 551 N 0.00 -0.12 0.07 -1.84 0.18 -1.26 -4.60 117.16 109.59 1k2p n TYR 551 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1k2p n TYR 551 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1k2p n TYR 551 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1k2p n THR 552 N 0.00 0.08 -4.99 -3.48 -1.04 -1.26 -4.95 114.28 98.65 1k2p n THR 552 Ca 0.00 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1k2p n THR 552 Cb 0.00 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1k2p n THR 552 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1k2p n SER 553 N -3.06 0.00 -4.55 8.00 7.64 -1.26 -4.47 113.62 115.91 1k2p n SER 553 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1k2p n SER 553 Cb 0.03 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1k2p n SER 553 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1k2p s SER 554 N -4.00 4.26 0.19 6.43 0.01 -1.26 -4.92 113.70 114.41 1k2p s SER 554 Ca 0.00 0.77 -0.31 0.00 1.31 0.00 0.00 55.95 57.72 1k2p s SER 554 Cb 0.00 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 1k2p s SER 554 CO 0.00 -3.20 1.54 -0.69 0.41 0.00 0.00 173.24 171.31 1k2p s VAL 555 N 13.04 2.59 0.14 3.43 1.01 -1.26 -4.59 120.40 134.75 1k2p s VAL 555 Ca 0.96 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1k2p s VAL 555 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1k2p s VAL 555 CO 0.20 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1k2p n GLY 556 N 3.30 -3.96 0.00 4.51 0.00 -1.26 -5.12 105.19 102.66 1k2p n GLY 556 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1k2p n GLY 556 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k2p n SER 557 N -0.13 0.00 -4.03 1.61 2.88 -1.26 -5.11 113.62 107.57 1k2p n SER 557 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1k2p n SER 557 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1k2p n SER 557 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1k2p s LYS 558 N -1.63 1.70 0.58 -1.46 3.01 -1.26 -5.11 119.74 115.57 1k2p s LYS 558 Ca 0.00 -1.70 -0.05 0.00 -1.01 0.00 0.00 55.97 53.21 1k2p s LYS 558 Cb 0.00 -3.09 0.01 0.00 -1.01 0.00 0.00 37.83 33.74 1k2p s LYS 558 CO 0.00 -0.83 0.89 -0.06 0.51 0.00 0.00 175.35 175.86 1k2p s PHE 559 N 0.98 3.23 0.61 3.18 0.40 -1.26 -4.96 117.98 120.16 1k2p s PHE 559 Ca 0.05 0.59 0.38 0.00 -0.60 0.00 0.00 56.93 57.35 1k2p s PHE 559 Cb -0.19 -2.73 2.12 0.00 0.51 0.00 0.00 43.02 42.73 1k2p s PHE 559 CO -0.07 -0.82 2.30 -1.00 0.70 0.00 0.00 175.22 176.33 1k2p h PRO 560 N -0.15 0.00 0.00 0.24 0.13 -1.96 -3.46 132.00 126.80 1k2p h PRO 560 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k2p h PRO 560 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1k2p h PRO 560 CO 0.60 0.01 0.00 0.28 -0.23 0.00 0.00 178.00 178.66 1k2p n VAL 561 N -3.41 0.00 -0.36 1.56 0.31 -1.26 -4.46 118.33 110.71 1k2p n VAL 561 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1k2p n VAL 561 Cb 0.09 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.17 1k2p n VAL 561 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2p h ARG 562 N 0.00 1.17 -0.84 5.55 -0.00 -1.93 -1.78 114.38 116.55 1k2p h ARG 562 Ca 0.00 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.98 59.31 1k2p h ARG 562 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 29.97 29.65 1k2p h ARG 562 CO 0.00 0.78 0.13 0.91 0.00 0.00 0.00 179.97 181.78 1k2p n TRP 563 N -4.48 1.39 -4.71 3.04 8.01 -1.26 -4.93 117.44 114.49 1k2p n TRP 563 Ca 0.14 -0.70 -0.29 0.00 -1.31 0.00 0.00 57.50 55.34 1k2p n TRP 563 Cb 0.13 -0.44 -0.14 0.00 -2.01 0.00 0.00 31.31 28.85 1k2p n TRP 563 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1k2p s SER 564 N -0.40 3.08 0.53 -0.99 0.01 -0.67 -3.82 113.70 111.43 1k2p s SER 564 Ca 0.32 -0.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.76 1k2p s SER 564 Cb 0.25 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.16 1k2p s SER 564 CO 0.08 0.22 1.08 -2.84 0.41 0.00 0.00 173.24 172.19 1k2p s PRO 565 N -1.47 3.52 0.55 12.44 0.02 -1.26 -4.86 135.00 143.94 1k2p s PRO 565 Ca 0.11 1.46 0.26 0.00 0.02 0.00 0.00 61.00 62.86 1k2p s PRO 565 Cb -0.10 -2.04 1.46 0.00 0.02 0.00 0.00 34.50 33.83 1k2p s PRO 565 CO 0.03 -0.68 2.00 -1.35 -0.33 0.00 0.00 177.00 176.67 1k2p h PRO 566 N 1.23 0.00 -0.00 5.54 0.11 -1.93 -0.67 132.00 136.27 1k2p h PRO 566 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k2p h PRO 566 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1k2p h PRO 566 CO 0.58 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.17 1k2p h GLU 567 N 0.00 -0.21 -0.00 1.05 3.07 -1.90 -2.73 114.58 113.86 1k2p h GLU 567 Ca 0.22 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.95 1k2p h GLU 567 Cb 0.94 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1k2p h GLU 567 CO -0.00 -0.14 -0.68 -0.39 -1.40 0.00 0.00 179.01 176.39 1k2p h VAL 568 N -0.22 1.49 0.00 3.13 -1.51 -1.33 -2.14 116.25 115.68 1k2p h VAL 568 Ca 0.05 -2.34 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 1k2p h VAL 568 Cb 0.28 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1k2p h VAL 568 CO -0.13 0.67 0.00 0.18 -1.23 0.00 0.00 177.57 177.06 1k2p n LEU 569 N -3.73 0.22 0.02 4.19 4.77 -0.80 -1.78 117.00 119.90 1k2p n LEU 569 Ca -0.01 0.58 -0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1k2p n LEU 569 Cb 0.67 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1k2p n LEU 569 CO 0.43 -0.52 -0.03 0.23 -1.33 0.00 0.00 177.39 176.16 1k2p n MET 570 N -1.77 0.03 -0.63 3.23 2.81 -1.16 -4.89 117.12 114.74 1k2p n MET 570 Ca 0.01 0.01 0.02 0.00 -1.81 0.00 0.00 57.70 55.93 1k2p n MET 570 Cb 0.10 -0.36 0.20 0.00 -0.71 0.00 0.00 33.22 32.45 1k2p n MET 570 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1k2p n TYR 571 N -3.14 0.58 -4.06 2.03 4.11 -0.81 -5.01 117.16 110.85 1k2p n TYR 571 Ca -0.01 -1.44 -0.41 0.00 -0.00 0.00 0.00 57.90 56.04 1k2p n TYR 571 Cb 0.03 -0.36 -0.00 0.00 -0.00 0.00 0.00 39.34 39.01 1k2p n TYR 571 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1k2p n SER 572 N -1.10 -3.15 -4.47 9.48 7.64 -0.73 -4.87 113.62 116.42 1k2p n SER 572 Ca 0.25 -1.25 -0.44 0.00 1.01 0.00 0.00 58.87 58.45 1k2p n SER 572 Cb 0.86 -1.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.10 1k2p n SER 572 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k2p s LYS 573 N -7.20 3.92 -0.07 1.43 2.47 -1.20 -4.82 119.74 114.27 1k2p s LYS 573 Ca 0.38 -2.27 -0.27 0.00 -1.56 0.00 0.00 55.97 52.25 1k2p s LYS 573 Cb -0.20 -5.05 -0.03 0.00 -1.46 0.00 0.00 37.83 31.10 1k2p s LYS 573 CO 0.96 -1.80 0.85 -0.59 0.16 0.00 0.00 175.35 174.92 1k2p s PHE 574 N 2.13 3.57 0.28 4.03 -0.12 -1.26 -4.27 117.98 122.34 1k2p s PHE 574 Ca 0.40 1.44 -0.03 0.00 -0.05 0.00 0.00 56.93 58.69 1k2p s PHE 574 Cb -0.03 -2.99 0.01 0.00 -0.63 0.00 0.00 43.02 39.39 1k2p s PHE 574 CO -0.03 -0.03 0.42 -1.13 -0.05 0.00 0.00 175.22 174.40 1k2p n SER 575 N 4.20 -1.19 -0.06 1.98 3.41 -1.26 -4.75 113.62 115.95 1k2p n SER 575 Ca 0.03 -2.43 0.10 0.00 -0.26 0.00 0.00 58.87 56.31 1k2p n SER 575 Cb 0.50 2.15 0.49 0.00 -0.26 0.00 0.00 64.21 67.09 1k2p n SER 575 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k2p h SER 576 N 1.54 0.39 0.75 4.04 4.64 -1.96 0.12 113.55 123.07 1k2p h SER 576 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1k2p h SER 576 Cb 0.93 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1k2p h SER 576 CO 0.29 0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.79 1k2p n LYS 577 N -4.47 0.22 -0.04 4.77 4.01 -1.26 -3.52 118.16 117.87 1k2p n LYS 577 Ca 0.08 0.01 -0.16 0.00 -0.51 0.00 0.00 58.31 57.74 1k2p n LYS 577 Cb 0.30 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.25 1k2p n LYS 577 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1k2p h SER 578 N 0.00 0.66 0.32 4.39 0.02 -1.30 -2.93 113.55 114.71 1k2p h SER 578 Ca 0.00 -0.61 -0.04 0.00 -0.84 0.00 0.00 61.79 60.30 1k2p h SER 578 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1k2p h SER 578 CO 0.00 1.15 -0.20 0.44 -1.14 0.00 0.00 176.83 177.08 1k2p h ASP 579 N 0.20 0.00 -0.24 3.07 3.45 -1.65 -2.41 116.42 118.84 1k2p h ASP 579 Ca -0.02 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1k2p h ASP 579 Cb 1.10 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 1k2p h ASP 579 CO 0.10 0.20 0.05 0.40 -1.57 0.00 0.00 179.24 178.42 1k2p h ILE 580 N 0.00 1.22 0.10 0.35 1.08 -1.62 -0.50 117.51 118.13 1k2p h ILE 580 Ca -0.00 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1k2p h ILE 580 Cb 0.41 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1k2p h ILE 580 CO 0.03 0.23 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.32 1k2p h TRP 581 N 0.21 -0.39 -0.43 1.37 2.91 -1.26 -2.26 115.95 116.10 1k2p h TRP 581 Ca 0.07 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.13 1k2p h TRP 581 Cb 0.31 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1k2p h TRP 581 CO 0.02 -0.23 0.28 0.00 -1.03 0.00 0.00 178.44 177.49 1k2p h ALA 582 N 0.56 1.82 -0.25 2.65 0.00 -1.40 -1.58 119.26 121.05 1k2p h ALA 582 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1k2p h ALA 582 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1k2p h ALA 582 CO -0.08 0.14 -0.08 0.35 0.00 0.00 0.00 179.25 179.58 1k2p h PHE 583 N 0.47 0.42 -0.34 0.00 3.57 -0.50 0.14 116.94 120.71 1k2p h PHE 583 Ca 0.17 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1k2p h PHE 583 Cb 0.10 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1k2p h PHE 583 CO -0.00 0.48 -0.41 0.78 -2.23 0.00 0.00 178.31 176.93 1k2p h GLY 584 N 0.82 0.93 1.54 2.40 0.00 -0.99 -0.71 103.07 107.06 1k2p h GLY 584 Ca 0.08 -0.97 -0.10 0.00 0.00 0.00 0.00 47.33 46.34 1k2p h GLY 584 CO 0.02 0.87 -0.28 -2.08 0.00 0.00 0.00 176.54 175.07 1k2p h VAL 585 N 0.69 1.27 -0.41 4.60 2.07 -1.12 -0.91 116.25 122.44 1k2p h VAL 585 Ca 0.05 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1k2p h VAL 585 Cb 0.99 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1k2p h VAL 585 CO 0.10 0.43 0.12 0.25 0.02 0.00 0.00 177.57 178.48 1k2p h LEU 586 N 0.46 0.61 -0.90 2.57 6.46 -0.75 0.16 115.31 123.91 1k2p h LEU 586 Ca 0.06 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1k2p h LEU 586 Cb 0.72 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 1k2p h LEU 586 CO 0.06 0.66 0.59 0.24 -0.62 0.00 0.00 178.44 179.37 1k2p h MET 587 N 0.52 1.11 -0.69 1.25 2.86 -0.74 0.97 114.93 120.21 1k2p h MET 587 Ca 0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1k2p h MET 587 Cb 0.28 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1k2p h MET 587 CO -0.00 0.74 0.36 2.35 1.06 0.00 0.00 176.91 181.42 1k2p h TRP 588 N 1.15 0.97 -0.62 -0.22 7.01 -0.58 -0.64 115.95 123.02 1k2p h TRP 588 Ca 0.35 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 1k2p h TRP 588 Cb -0.02 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.70 1k2p h TRP 588 CO -0.01 0.70 0.33 0.93 -2.79 0.00 0.00 178.44 177.60 1k2p h GLU 589 N 0.96 0.85 0.66 2.65 5.08 0.11 0.27 114.58 125.17 1k2p h GLU 589 Ca 0.24 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1k2p h GLU 589 Cb 0.07 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1k2p h GLU 589 CO -0.04 0.64 -0.32 0.82 -1.00 0.00 0.00 179.01 179.12 1k2p h ILE 590 N 0.86 0.00 0.00 3.13 2.04 -0.01 -0.71 117.51 122.81 1k2p h ILE 590 Ca 0.22 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1k2p h ILE 590 Cb 0.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1k2p h ILE 590 CO -0.03 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.90 1k2p n TYR 591 N -5.25 0.38 1.22 1.37 4.02 -0.33 -0.55 117.16 118.02 1k2p n TYR 591 Ca -0.11 0.17 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1k2p n TYR 591 Cb 0.35 -0.77 0.29 0.00 -0.02 0.00 0.00 39.34 39.19 1k2p n TYR 591 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1k2p n SER 592 N -1.86 1.82 -3.75 7.72 7.64 0.95 -4.22 113.62 121.93 1k2p n SER 592 Ca 0.01 -1.46 -0.25 0.00 1.01 0.00 0.00 58.87 58.18 1k2p n SER 592 Cb 0.13 0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.50 1k2p n SER 592 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1k2p n LEU 593 N 0.19 -3.02 0.00 -3.43 4.32 0.28 -2.43 117.00 112.92 1k2p n LEU 593 Ca 0.14 -0.73 0.00 0.00 -0.02 0.00 0.00 56.01 55.40 1k2p n LEU 593 Cb 0.43 -2.73 0.00 0.00 -1.62 0.00 0.00 43.42 39.50 1k2p n LEU 593 CO 0.21 0.48 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1k2p n GLY 594 N -1.66 0.56 3.69 -0.72 0.00 -0.33 -3.66 105.19 103.06 1k2p n GLY 594 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1k2p n GLY 594 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2p n LYS 595 N -2.00 2.35 -2.34 1.61 5.02 -1.02 -4.92 118.16 116.87 1k2p n LYS 595 Ca 0.00 0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 1k2p n LYS 595 Cb 0.00 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.36 1k2p n LYS 595 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1k2p s MET 596 N 0.62 4.42 0.40 1.97 1.75 -1.26 -4.71 119.30 122.49 1k2p s MET 596 Ca 0.75 1.88 -0.27 0.00 -1.25 0.00 0.00 55.69 56.80 1k2p s MET 596 Cb -0.61 -3.29 -0.09 0.00 2.84 0.00 0.00 34.83 33.68 1k2p s MET 596 CO 0.39 -0.26 1.38 -2.14 -0.65 0.00 0.00 175.02 173.75 1k2p s PRO 597 N 0.69 3.97 -1.54 4.11 0.02 -1.26 -3.23 135.00 137.76 1k2p s PRO 597 Ca 0.59 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.91 1k2p s PRO 597 Cb -0.32 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1k2p s PRO 597 CO 0.32 -0.56 0.43 0.66 -0.33 0.00 0.00 177.00 177.52 1k2p n TYR 598 N 0.20 -1.72 -1.60 6.54 4.01 -1.26 -4.95 117.16 118.39 1k2p n TYR 598 Ca 0.03 0.38 -0.37 0.00 -0.16 0.00 0.00 57.90 57.78 1k2p n TYR 598 Cb 0.42 -4.08 0.07 0.00 -0.31 0.00 0.00 39.34 35.43 1k2p n TYR 598 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1k2p n GLU 599 N -3.72 0.88 -1.00 -0.72 0.00 -1.20 -2.07 120.64 112.82 1k2p n GLU 599 Ca -0.13 0.36 -0.00 0.00 0.00 0.00 0.00 57.16 57.39 1k2p n GLU 599 Cb 0.62 -2.37 -0.00 0.00 0.00 0.00 0.00 31.44 29.69 1k2p n GLU 599 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1k2p n ARG 600 N -1.75 -0.06 -4.31 3.44 5.12 -1.26 -5.02 116.66 112.83 1k2p n ARG 600 Ca 0.15 0.03 -0.19 0.00 -1.93 0.00 0.00 57.85 55.91 1k2p n ARG 600 Cb 0.48 -3.09 -0.11 0.00 -1.16 0.00 0.00 32.46 28.59 1k2p n ARG 600 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1k2p s PHE 601 N -1.97 1.63 0.47 -1.55 0.08 -0.88 -5.11 117.98 110.65 1k2p s PHE 601 Ca 0.00 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 56.58 1k2p s PHE 601 Cb 0.00 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1k2p s PHE 601 CO 0.00 0.28 0.60 0.95 -0.10 0.00 0.00 175.22 176.95 1k2p s THR 602 N -2.56 2.63 0.12 0.64 -4.23 -1.26 -4.90 115.64 106.07 1k2p s THR 602 Ca 0.17 -1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 1k2p s THR 602 Cb -0.03 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1k2p s THR 602 CO 0.05 0.00 1.61 0.78 -0.54 0.00 0.00 174.62 176.52 1k2p h ASN 603 N 0.56 0.61 0.01 3.99 4.21 -1.98 0.21 115.58 123.19 1k2p h ASN 603 Ca -0.37 -0.25 -0.09 0.00 1.21 0.00 0.00 56.30 56.80 1k2p h ASN 603 Cb 1.28 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.31 1k2p h ASN 603 CO 0.46 0.70 -0.26 0.28 -1.29 0.00 0.00 177.43 177.32 1k2p h SER 604 N 0.48 0.40 0.06 5.81 0.02 -1.99 -1.43 113.55 116.90 1k2p h SER 604 Ca 0.12 -0.13 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 1k2p h SER 604 Cb 0.35 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1k2p h SER 604 CO 0.01 0.66 -0.95 -0.08 -1.14 0.00 0.00 176.83 175.33 1k2p h GLU 605 N 0.35 0.64 -0.66 3.45 4.81 -1.89 -2.79 114.58 118.50 1k2p h GLU 605 Ca 0.05 -0.64 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 1k2p h GLU 605 Cb 0.65 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1k2p h GLU 605 CO 0.05 1.25 0.21 1.15 -0.73 0.00 0.00 179.01 180.93 1k2p h THR 606 N 0.39 1.25 -0.65 0.32 2.02 -0.41 -1.87 112.91 113.95 1k2p h THR 606 Ca -0.10 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1k2p h THR 606 Cb 1.59 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1k2p h THR 606 CO 0.18 0.33 0.39 0.00 0.37 0.00 0.00 175.52 176.80 1k2p h ALA 607 N 1.08 0.83 -0.38 6.16 0.00 -1.26 -2.02 119.26 123.67 1k2p h ALA 607 Ca 0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1k2p h ALA 607 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1k2p h ALA 607 CO -0.01 0.30 -0.24 1.49 0.00 0.00 0.00 179.25 180.80 1k2p h GLU 608 N 0.89 0.83 -0.64 0.00 4.22 -1.31 -3.28 114.58 115.28 1k2p h GLU 608 Ca 0.23 -0.39 -0.09 0.00 0.08 0.00 0.00 59.36 59.20 1k2p h GLU 608 Cb -0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1k2p h GLU 608 CO -0.04 1.02 0.05 0.45 -2.18 0.00 0.00 179.01 178.31 1k2p h HIS 609 N 0.62 1.18 -0.73 0.92 3.86 -1.15 -2.91 115.15 116.95 1k2p h HIS 609 Ca 0.08 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1k2p h HIS 609 Cb 0.81 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 1k2p h HIS 609 CO 0.06 1.01 0.45 0.82 0.86 0.00 0.00 177.93 181.13 1k2p h ILE 610 N 1.01 1.20 -0.71 2.45 1.08 -1.43 0.11 117.51 121.22 1k2p h ILE 610 Ca 0.19 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1k2p h ILE 610 Cb 0.50 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1k2p h ILE 610 CO 0.02 0.21 0.39 0.00 -0.69 0.00 0.00 178.15 178.08 1k2p h ALA 611 N 1.24 0.91 0.00 1.87 0.00 -1.60 -2.39 119.26 119.29 1k2p h ALA 611 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k2p h ALA 611 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1k2p h ALA 611 CO -0.05 0.43 0.00 1.96 0.00 0.00 0.00 179.25 181.58 1k2p h GLN 612 N 0.98 0.00 0.00 0.00 1.08 -1.26 -3.46 115.11 112.45 1k2p h GLN 612 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1k2p h GLN 612 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1k2p h GLN 612 CO -0.04 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.25 1k2p n GLY 613 N 0.00 -0.11 3.75 3.46 0.00 -0.86 -5.11 105.19 106.32 1k2p n GLY 613 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1k2p n GLY 613 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k2p s LEU 614 N 0.00 4.39 0.21 0.99 1.98 0.33 -4.98 118.68 121.61 1k2p s LEU 614 Ca 0.00 2.70 -0.00 0.00 -2.89 0.00 0.00 54.13 53.94 1k2p s LEU 614 Cb 0.00 -3.63 -0.04 0.00 0.66 0.00 0.00 46.19 43.17 1k2p s LEU 614 CO 0.00 -0.67 0.12 -0.13 -1.89 0.00 0.00 176.35 173.78 1k2p s ARG 615 N -0.91 1.25 0.06 1.98 1.81 -1.26 -4.33 118.95 117.55 1k2p s ARG 615 Ca 0.56 -1.66 -0.30 0.00 -1.72 0.00 0.00 55.73 52.61 1k2p s ARG 615 Cb -0.42 0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.14 1k2p s ARG 615 CO 0.48 -0.35 0.95 -0.51 -0.68 0.00 0.00 175.30 175.18 1k2p s LEU 616 N -3.20 4.45 0.74 2.53 2.01 -1.26 -5.05 118.68 118.90 1k2p s LEU 616 Ca 0.38 1.71 -0.11 0.00 0.01 0.00 0.00 54.13 56.12 1k2p s LEU 616 Cb 0.07 -3.55 0.04 0.00 0.01 0.00 0.00 46.19 42.76 1k2p s LEU 616 CO 0.12 -0.13 1.08 -0.72 1.01 0.00 0.00 176.35 177.71 1k2p s TYR 617 N 0.38 2.96 0.00 0.29 -0.85 -1.26 -4.98 117.35 113.89 1k2p s TYR 617 Ca 0.48 1.31 -0.30 0.00 -0.52 0.00 0.00 57.07 58.03 1k2p s TYR 617 Cb -0.22 -2.99 -0.05 0.00 0.38 0.00 0.00 41.96 39.07 1k2p s TYR 617 CO 0.28 -1.50 1.34 0.50 -1.52 0.00 0.00 175.55 174.65 1k2p s ARG 618 N -5.09 4.31 0.36 -3.49 3.52 -1.26 -4.99 118.95 112.33 1k2p s ARG 618 Ca 0.59 1.89 -0.27 0.00 -0.13 0.00 0.00 55.73 57.81 1k2p s ARG 618 Cb -0.14 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 1k2p s ARG 618 CO 0.55 -0.51 1.19 -2.14 -0.81 0.00 0.00 175.30 173.57 1k2p s PRO 619 N 2.15 4.22 0.39 5.12 0.02 -1.26 -4.90 135.00 140.75 1k2p s PRO 619 Ca 0.62 1.91 0.21 0.00 0.02 0.00 0.00 61.00 63.76 1k2p s PRO 619 Cb -0.30 -2.85 1.22 0.00 0.02 0.00 0.00 34.50 32.59 1k2p s PRO 619 CO 0.26 -0.20 1.67 1.12 -0.33 0.00 0.00 177.00 179.53 1k2p h HIS 620 N 3.00 0.71 0.00 6.54 2.07 -1.94 0.00 115.15 125.53 1k2p h HIS 620 Ca -0.48 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1k2p h HIS 620 Cb 1.23 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.02 1k2p h HIS 620 CO 0.56 -0.13 0.00 1.28 -3.07 0.00 0.00 177.93 176.57 1k2p n LEU 621 N -4.81 0.64 -4.86 6.12 4.32 -1.26 -4.83 117.00 112.31 1k2p n LEU 621 Ca 0.32 0.59 -0.32 0.00 -0.02 0.00 0.00 56.01 56.58 1k2p n LEU 621 Cb 1.13 -0.41 -0.06 0.00 -1.62 0.00 0.00 43.42 42.46 1k2p n LEU 621 CO 0.18 -0.26 0.29 0.00 -1.22 0.00 0.00 177.39 176.37 1k2p s ALA 622 N -3.14 3.48 0.46 -1.18 0.00 -0.02 -4.85 121.76 116.52 1k2p s ALA 622 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1k2p s ALA 622 Cb 0.12 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1k2p s ALA 622 CO 0.52 0.45 0.66 -1.54 0.00 0.00 0.00 175.76 175.85 1k2p s SER 623 N -2.30 5.68 0.29 0.00 1.04 -1.26 -4.85 113.70 112.31 1k2p s SER 623 Ca 0.49 0.06 0.04 0.00 0.48 0.00 0.00 55.95 57.03 1k2p s SER 623 Cb -0.11 -1.22 0.70 0.00 0.10 0.00 0.00 66.02 65.49 1k2p s SER 623 CO 0.20 -0.79 1.77 -0.08 0.98 0.00 0.00 173.24 175.31 1k2p h GLU 624 N 0.40 0.69 -0.33 4.02 4.81 -1.98 -1.13 114.58 121.06 1k2p h GLU 624 Ca -0.44 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1k2p h GLU 624 Cb 1.27 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1k2p h GLU 624 CO 0.54 0.45 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.91 1k2p h LYS 625 N 0.71 0.69 -0.71 1.92 3.64 -1.99 -2.27 116.57 118.56 1k2p h LYS 625 Ca 0.56 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1k2p h LYS 625 Cb 0.86 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1k2p h LYS 625 CO -0.39 0.89 0.43 0.28 -2.27 0.00 0.00 179.45 178.39 1k2p h VAL 626 N 0.46 1.20 -0.23 2.00 2.07 -1.66 -1.43 116.25 118.67 1k2p h VAL 626 Ca 0.08 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1k2p h VAL 626 Cb 0.67 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1k2p h VAL 626 CO 0.05 0.20 -0.27 0.22 0.02 0.00 0.00 177.57 177.79 1k2p h TYR 627 N 0.97 0.50 -0.26 1.57 3.20 -1.10 -2.34 116.97 119.52 1k2p h TYR 627 Ca 0.26 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1k2p h TYR 627 Cb -0.05 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1k2p h TYR 627 CO 0.00 0.68 0.13 1.15 -1.64 0.00 0.00 178.16 178.48 1k2p h THR 628 N 0.39 1.14 0.59 1.81 2.02 -0.69 -1.00 112.91 117.18 1k2p h THR 628 Ca 0.06 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1k2p h THR 628 Cb 0.69 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1k2p h THR 628 CO 0.05 0.14 -0.43 0.40 0.37 0.00 0.00 175.52 176.05 1k2p h ILE 629 N 0.29 0.14 -0.40 3.11 2.04 -1.14 -1.19 117.51 120.37 1k2p h ILE 629 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1k2p h ILE 629 Cb 0.10 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1k2p h ILE 629 CO -0.01 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.37 1k2p h MET 630 N -0.99 0.53 0.00 2.37 -0.00 -1.42 -1.24 114.93 114.18 1k2p h MET 630 Ca -0.07 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1k2p h MET 630 Cb 0.82 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1k2p h MET 630 CO 0.03 0.38 -0.01 -0.92 -0.00 0.00 0.00 176.91 176.39 1k2p h TYR 631 N 0.54 0.00 0.00 -0.10 5.03 -0.82 -2.52 116.97 119.10 1k2p h TYR 631 Ca 0.14 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.42 1k2p h TYR 631 Cb -0.02 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1k2p h TYR 631 CO 0.00 0.01 -0.17 0.66 -1.32 0.00 0.00 178.16 177.34 1k2p h SER 632 N 0.00 0.00 1.30 -2.11 4.64 0.03 -2.76 113.55 114.64 1k2p h SER 632 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k2p h SER 632 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1k2p h SER 632 CO 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 1k2p n TRP 634 N -3.02 1.66 -2.05 0.00 8.01 -1.04 -3.52 117.44 117.47 1k2p n TRP 634 Ca 0.02 -0.61 -0.42 0.00 -1.31 0.00 0.00 57.50 55.18 1k2p n TRP 634 Cb 0.37 -0.36 -0.03 0.00 -2.01 0.00 0.00 31.31 29.28 1k2p n TRP 634 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1k2p s HIS 635 N -2.23 2.93 0.47 -5.99 3.76 -1.25 -4.85 115.29 108.13 1k2p s HIS 635 Ca 0.49 0.68 0.37 0.00 -0.15 0.00 0.00 55.06 56.45 1k2p s HIS 635 Cb 0.34 -3.82 1.89 0.00 1.11 0.00 0.00 32.58 32.11 1k2p s HIS 635 CO 0.19 -3.06 2.20 1.49 -0.85 0.00 0.00 174.74 174.71 1k2p h GLU 636 N 7.33 0.00 -4.97 1.40 4.81 -1.97 -3.32 114.58 117.86 1k2p h GLU 636 Ca -0.42 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.12 1k2p h GLU 636 Cb 1.20 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.40 1k2p h GLU 636 CO 0.90 0.03 0.68 0.21 -0.73 0.00 0.00 179.01 180.10 1k2p s LYS 637 N -4.09 3.48 0.36 1.92 2.47 -1.26 -4.90 119.74 117.72 1k2p s LYS 637 Ca -0.03 -1.64 0.18 0.00 -1.56 0.00 0.00 55.97 52.92 1k2p s LYS 637 Cb 0.12 -4.73 1.25 0.00 -1.46 0.00 0.00 37.83 33.01 1k2p s LYS 637 CO 0.50 -1.73 1.56 0.00 0.16 0.00 0.00 175.35 175.84 1k2p n ALA 638 N 6.51 0.94 0.14 3.13 0.00 -1.25 -0.13 120.51 129.85 1k2p n ALA 638 Ca 0.16 1.01 0.11 0.00 0.00 0.00 0.00 53.44 54.73 1k2p n ALA 638 Cb 0.48 -0.97 0.62 0.00 0.00 0.00 0.00 19.45 19.58 1k2p n ALA 638 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1k2p h ASP 639 N 0.00 0.08 0.57 0.00 3.45 -1.91 -1.15 116.42 117.46 1k2p h ASP 639 Ca 0.80 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.26 1k2p h ASP 639 Cb 2.08 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.83 1k2p h ASP 639 CO -0.78 0.05 -0.04 1.21 -1.57 0.00 0.00 179.24 178.11 1k2p n GLU 640 N -4.49 0.42 -2.93 3.56 2.13 0.82 -4.85 120.64 115.31 1k2p n GLU 640 Ca 0.02 -0.05 -0.38 0.00 0.66 0.00 0.00 57.16 57.42 1k2p n GLU 640 Cb 0.25 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1k2p n GLU 640 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1k2p s ARG 641 N -2.61 4.50 0.84 5.31 0.52 -0.44 -4.99 118.95 122.08 1k2p s ARG 641 Ca 0.27 1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 56.51 1k2p s ARG 641 Cb 0.20 -2.99 0.09 0.00 0.52 0.00 0.00 34.95 32.77 1k2p s ARG 641 CO 0.48 0.41 1.10 -1.25 0.02 0.00 0.00 175.30 176.06 1k2p s PRO 642 N -1.71 1.77 0.53 3.54 0.04 -1.26 -5.07 135.00 132.83 1k2p s PRO 642 Ca 0.43 0.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1k2p s PRO 642 Cb -0.20 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1k2p s PRO 642 CO 0.24 -1.84 0.78 0.95 0.04 0.00 0.00 177.00 177.18 1k2p s THR 643 N -3.13 3.50 0.37 1.26 -4.23 -1.26 -4.91 115.64 107.24 1k2p s THR 643 Ca 0.62 -0.37 0.27 0.00 -1.18 0.00 0.00 61.69 61.02 1k2p s THR 643 Cb -0.15 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.64 1k2p s THR 643 CO 0.55 -0.28 2.03 -0.26 -0.54 0.00 0.00 174.62 176.12 1k2p h PHE 644 N 0.09 0.00 -0.13 3.99 0.04 -1.93 0.14 116.94 119.15 1k2p h PHE 644 Ca -0.45 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.30 1k2p h PHE 644 Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 1k2p h PHE 644 CO 0.43 0.14 -0.00 -0.22 -0.60 0.00 0.00 178.31 178.05 1k2p h LYS 645 N 0.00 0.23 -0.12 1.51 1.63 -1.92 0.23 116.57 118.13 1k2p h LYS 645 Ca -0.00 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1k2p h LYS 645 Cb 0.40 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1k2p h LYS 645 CO 0.02 0.47 -0.06 0.82 -3.45 0.00 0.00 179.45 177.25 1k2p h ILE 646 N -0.04 1.32 -0.90 2.00 2.04 -1.84 -2.51 117.51 117.57 1k2p h ILE 646 Ca 0.04 -1.10 0.17 0.00 1.00 0.00 0.00 64.86 64.97 1k2p h ILE 646 Cb 0.37 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1k2p h ILE 646 CO 0.01 0.32 0.58 0.25 0.00 0.00 0.00 178.15 179.31 1k2p h LEU 647 N -0.09 0.58 -0.32 1.44 5.85 -0.67 0.31 115.31 122.40 1k2p h LEU 647 Ca 0.03 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1k2p h LEU 647 Cb 0.52 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1k2p h LEU 647 CO 0.02 0.26 -0.22 0.25 -0.34 0.00 0.00 178.44 178.41 1k2p h LEU 648 N 0.60 0.75 0.47 2.25 5.85 -0.35 -2.57 115.31 122.31 1k2p h LEU 648 Ca 0.47 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1k2p h LEU 648 Cb 0.90 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1k2p h LEU 648 CO -0.22 1.02 -0.22 0.28 -0.34 0.00 0.00 178.44 178.96 1k2p h SER 649 N 0.48 -0.53 -1.00 1.25 0.02 -0.55 -2.02 113.55 111.19 1k2p h SER 649 Ca 0.06 -0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 1k2p h SER 649 Cb 0.77 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 1k2p h SER 649 CO 0.06 -0.25 0.61 0.78 -1.14 0.00 0.00 176.83 176.89 1k2p h ASN 650 N -0.81 0.77 -0.51 3.07 4.21 -1.27 0.10 115.58 121.14 1k2p h ASN 650 Ca -0.06 0.10 -0.11 0.00 1.21 0.00 0.00 56.30 57.44 1k2p h ASN 650 Cb 0.56 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1k2p h ASN 650 CO 0.11 0.26 -0.10 0.40 -1.29 0.00 0.00 177.43 176.80 1k2p h ILE 651 N 0.74 1.27 0.00 2.81 2.04 -1.35 -3.04 117.51 119.98 1k2p h ILE 651 Ca 0.58 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1k2p h ILE 651 Cb 0.94 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1k2p h ILE 651 CO -0.39 0.44 -0.07 -0.07 0.00 0.00 0.00 178.15 178.07 1k2p h LEU 652 N 0.89 0.00 -5.99 1.44 -0.00 -0.03 -3.26 115.31 108.36 1k2p h LEU 652 Ca 0.14 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.44 1k2p h LEU 652 Cb 0.65 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.90 1k2p h LEU 652 CO 0.05 0.07 -0.76 -0.90 -0.00 0.00 0.00 178.44 176.89 1k2p n ASP 653 N -3.87 2.83 -0.37 -0.43 5.68 -1.05 -5.11 116.55 114.22 1k2p n ASP 653 Ca -0.02 -3.28 0.05 0.00 -0.50 0.00 0.00 54.79 51.04 1k2p n ASP 653 Cb 0.16 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.54 1k2p n ASP 653 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39