#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgr s LYS 420 N 0.00 0.15 0.02 5.56 2.20 -1.26 -4.58 119.74 121.82 2rgr s LYS 420 Ca 0.00 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2rgr s LYS 420 Cb 0.00 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 2rgr s LYS 420 CO 0.00 -0.11 1.11 -1.54 -0.36 0.00 0.00 175.35 174.45 2rgr s SER 421 N 0.76 7.19 -0.16 1.43 1.04 -0.80 -5.00 113.70 118.16 2rgr s SER 421 Ca -0.06 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.20 2rgr s SER 421 Cb -0.07 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2rgr s SER 421 CO -0.04 -0.41 -0.09 -0.13 0.98 0.00 0.00 173.24 173.56 2rgr s ARG 422 N 1.20 3.43 -0.06 4.02 0.52 -1.26 -4.60 118.95 122.21 2rgr s ARG 422 Ca 0.56 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.98 2rgr s ARG 422 Cb -0.25 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 2rgr s ARG 422 CO 0.28 0.10 0.39 0.42 0.02 0.00 0.00 175.30 176.50 2rgr s ILE 423 N 0.68 5.14 0.00 1.52 1.01 -1.26 -4.98 121.20 123.32 2rgr s ILE 423 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2rgr s ILE 423 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2rgr s ILE 423 CO 0.02 0.49 0.39 0.35 0.00 0.00 0.00 174.94 176.19 2rgr n THR 424 N 2.57 0.12 -0.22 2.92 -2.24 -1.26 -4.71 114.28 111.46 2rgr n THR 424 Ca -0.12 -0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 2rgr n THR 424 Cb 0.52 1.29 0.15 0.00 -2.10 0.00 0.00 70.33 70.19 2rgr n THR 424 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2rgr n ASN 425 N -0.06 2.94 -3.67 3.42 5.03 -1.26 -4.81 115.26 116.84 2rgr n ASN 425 Ca 0.00 -2.07 -0.29 0.00 0.87 0.00 0.00 54.58 53.09 2rgr n ASN 425 Cb 0.33 -0.24 -0.13 0.00 -1.02 0.00 0.00 39.78 38.72 2rgr n ASN 425 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2rgr s TYR 426 N -1.12 1.76 0.23 3.10 2.02 -1.26 -4.99 117.35 117.08 2rgr s TYR 426 Ca 0.23 -2.23 -0.07 0.00 -0.37 0.00 0.00 57.07 54.63 2rgr s TYR 426 Cb 0.13 -1.72 0.20 0.00 -0.40 0.00 0.00 41.96 40.17 2rgr s TYR 426 CO 0.14 -0.80 1.83 -1.35 -1.57 0.00 0.00 175.55 173.80 2rgr h PRO 427 N 6.90 1.23 0.00 -1.71 0.11 -1.95 -3.03 132.00 133.55 2rgr h PRO 427 Ca -0.01 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2rgr h PRO 427 Cb 0.94 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2rgr h PRO 427 CO 0.45 0.93 0.00 1.63 -0.21 0.00 0.00 178.00 180.80 2rgr n LYS 428 N -4.31 0.12 -2.51 1.05 5.02 -1.26 -4.69 118.16 111.58 2rgr n LYS 428 Ca 0.09 0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 56.37 2rgr n LYS 428 Cb 0.13 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2rgr n LYS 428 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rgr s LEU 429 N -3.94 3.96 -0.50 -0.35 2.96 -1.15 -4.75 118.68 114.91 2rgr s LEU 429 Ca 0.03 1.25 -0.26 0.00 -0.22 0.00 0.00 54.13 54.94 2rgr s LEU 429 Cb 0.08 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.26 2rgr s LEU 429 CO 0.29 -0.93 1.00 -1.61 -1.32 0.00 0.00 176.35 173.77 2rgr s GLU 430 N 3.83 3.51 -0.06 1.98 0.41 -0.94 -5.00 118.70 122.43 2rgr s GLU 430 Ca 0.52 0.12 -0.18 0.00 -0.41 0.00 0.00 54.97 55.02 2rgr s GLU 430 Cb -0.16 -3.97 -0.05 0.00 -1.78 0.00 0.00 34.13 28.17 2rgr s GLU 430 CO 0.18 -1.38 0.49 0.34 -0.49 0.00 0.00 175.26 174.40 2rgr s ASP 431 N 2.53 6.79 0.12 -0.19 2.15 -1.26 -1.09 116.67 125.73 2rgr s ASP 431 Ca 0.38 0.94 -0.31 0.00 0.43 0.00 0.00 52.55 53.99 2rgr s ASP 431 Cb -0.10 -2.30 -0.10 0.00 -0.30 0.00 0.00 42.92 40.12 2rgr s ASP 431 CO 0.25 0.11 1.85 0.00 -0.17 0.00 0.00 175.17 177.21 2rgr s ALA 432 N -0.03 3.76 0.40 3.66 0.00 -1.23 -4.86 121.76 123.46 2rgr s ALA 432 Ca 0.27 1.45 0.24 0.00 0.00 0.00 0.00 51.96 53.92 2rgr s ALA 432 Cb -0.16 -3.77 1.29 0.00 0.00 0.00 0.00 23.12 20.47 2rgr s ALA 432 CO 0.13 -1.25 1.65 -0.91 0.00 0.00 0.00 175.76 175.38 2rgr h ASN 433 N 8.72 0.35 0.11 0.00 2.35 0.10 0.13 115.58 127.34 2rgr h ASN 433 Ca -0.46 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2rgr h ASN 433 Cb 1.22 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2rgr h ASN 433 CO 0.95 -0.15 -0.54 0.29 -1.65 0.00 0.00 177.43 176.33 2rgr n LYS 434 N -4.82 0.71 -1.81 0.81 4.76 -0.71 -4.95 118.16 112.16 2rgr n LYS 434 Ca 0.34 -0.54 -0.37 0.00 -2.87 0.00 0.00 58.31 54.87 2rgr n LYS 434 Cb 1.22 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 32.98 2rgr n LYS 434 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rgr s ALA 435 N -2.66 2.47 0.00 7.82 0.00 0.03 -2.33 121.76 127.09 2rgr s ALA 435 Ca 0.17 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2rgr s ALA 435 Cb 0.18 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2rgr s ALA 435 CO 0.64 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2rgr n GLY 436 N 0.80 0.36 3.85 0.00 0.00 -1.07 -4.65 105.19 104.48 2rgr n GLY 436 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2rgr n GLY 436 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rgr s THR 437 N -1.86 1.30 -2.00 2.61 2.01 -0.99 -1.90 115.64 114.82 2rgr s THR 437 Ca 0.00 -1.73 0.03 0.00 0.31 0.00 0.00 61.69 60.29 2rgr s THR 437 Cb 0.00 -2.04 0.07 0.00 0.01 0.00 0.00 72.50 70.55 2rgr s THR 437 CO 0.00 0.00 0.55 0.29 -0.69 0.00 0.00 174.62 174.77 2rgr n LYS 438 N -1.57 0.11 -0.03 4.92 5.02 -1.26 -1.04 118.16 124.30 2rgr n LYS 438 Ca -0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.19 2rgr n LYS 438 Cb 0.66 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.31 2rgr n LYS 438 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2rgr n GLU 439 N -0.88 2.49 0.20 1.97 1.02 -1.26 -4.67 120.64 119.50 2rgr n GLU 439 Ca 0.02 -1.48 0.18 0.00 -0.02 0.00 0.00 57.16 55.85 2rgr n GLU 439 Cb 0.01 -1.05 0.83 0.00 -0.02 0.00 0.00 31.44 31.21 2rgr n GLU 439 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2rgr h GLY 440 N 0.42 0.00 2.00 0.62 0.00 -1.13 -1.26 103.07 103.72 2rgr h GLY 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rgr h GLY 440 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.54 176.64 2rgr h TYR 441 N 0.00 0.00 -0.02 5.60 -0.00 -1.80 0.73 116.97 121.48 2rgr h TYR 441 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 2rgr h TYR 441 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.32 2rgr h TYR 441 CO 0.00 0.00 -0.10 1.63 -0.00 0.00 0.00 178.16 179.69 2rgr n LYS 442 N -2.73 1.77 -3.39 0.10 5.02 -0.48 -3.91 118.16 114.54 2rgr n LYS 442 Ca 0.02 -1.30 -0.38 0.00 -2.02 0.00 0.00 58.31 54.63 2rgr n LYS 442 Cb 0.32 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2rgr n LYS 442 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rgr s THR 444 N 1.23 5.11 -0.22 0.00 2.01 -0.08 -0.69 115.64 123.00 2rgr s THR 444 Ca 0.19 0.67 -0.06 0.00 0.31 0.00 0.00 61.69 62.81 2rgr s THR 444 Cb -0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2rgr s THR 444 CO 0.08 0.53 0.02 -0.22 -0.69 0.00 0.00 174.62 174.33 2rgr s LEU 445 N -1.23 3.27 -0.38 4.42 2.96 0.88 -2.31 118.68 126.28 2rgr s LEU 445 Ca 0.24 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 2rgr s LEU 445 Cb -0.15 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.70 2rgr s LEU 445 CO 0.13 0.02 0.50 -0.69 -1.32 0.00 0.00 176.35 174.99 2rgr s VAL 446 N 1.24 5.02 -0.24 1.68 1.01 0.69 -0.31 120.40 129.49 2rgr s VAL 446 Ca 0.04 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2rgr s VAL 446 Cb -0.15 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2rgr s VAL 446 CO 0.01 -0.31 0.26 -0.76 0.00 0.00 0.00 175.10 174.31 2rgr s LEU 447 N 2.36 4.10 0.13 3.92 1.43 0.24 -1.20 118.68 129.66 2rgr s LEU 447 Ca 0.17 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2rgr s LEU 447 Cb -0.16 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2rgr s LEU 447 CO 0.14 -0.02 0.10 0.42 0.23 0.00 0.00 176.35 177.22 2rgr s THR 448 N 1.36 4.44 -0.79 5.49 -4.23 -0.88 -0.06 115.64 120.97 2rgr s THR 448 Ca 0.12 -0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 59.39 2rgr s THR 448 Cb -0.14 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2rgr s THR 448 CO 0.07 -0.01 1.64 -0.70 -0.54 0.00 0.00 174.62 175.08 2rgr s GLU 449 N -2.79 2.95 0.00 3.99 2.12 -0.82 0.24 118.70 124.39 2rgr s GLU 449 Ca 0.30 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2rgr s GLU 449 Cb -0.11 -4.68 0.00 0.00 0.26 0.00 0.00 34.13 29.60 2rgr s GLU 449 CO 0.22 -2.62 0.00 0.41 -0.54 0.00 0.00 175.26 172.73 2rgr n GLY 450 N 6.12 -2.03 0.23 -1.50 0.00 0.24 -4.21 105.19 104.04 2rgr n GLY 450 Ca 0.23 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2rgr n GLY 450 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2rgr h ASP 451 N 0.00 0.00 -0.30 1.61 5.19 -1.84 -2.80 116.42 118.27 2rgr h ASP 451 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2rgr h ASP 451 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2rgr h ASP 451 CO 0.00 0.22 -0.40 -1.28 -3.12 0.00 0.00 179.24 174.66 2rgr h SER 452 N 0.00 0.91 1.55 6.45 0.87 -1.98 -2.60 113.55 118.75 2rgr h SER 452 Ca -0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 2rgr h SER 452 Cb 0.56 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2rgr h SER 452 CO 0.03 1.19 -0.04 0.00 -0.53 0.00 0.00 176.83 177.48 2rgr h ALA 453 N 0.85 0.99 -0.08 6.23 0.00 -1.68 -3.10 119.26 122.46 2rgr h ALA 453 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rgr h ALA 453 Cb 0.97 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2rgr h ALA 453 CO 0.09 0.05 0.16 1.25 0.00 0.00 0.00 179.25 180.80 2rgr h LEU 454 N 0.00 0.00 -0.74 0.00 5.85 -1.21 0.14 115.31 119.35 2rgr h LEU 454 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2rgr h LEU 454 Cb 0.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2rgr h LEU 454 CO 0.00 0.00 -0.56 0.28 -0.34 0.00 0.00 178.44 177.82 2rgr h SER 455 N 0.00 0.22 -0.22 1.25 0.02 -1.66 -2.59 113.55 110.58 2rgr h SER 455 Ca 0.04 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.69 2rgr h SER 455 Cb 0.36 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2rgr h SER 455 CO -0.00 0.74 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.82 2rgr h LEU 456 N 0.15 0.90 -0.23 5.07 3.38 -0.92 -0.55 115.31 123.11 2rgr h LEU 456 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2rgr h LEU 456 Cb 1.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2rgr h LEU 456 CO 0.08 1.26 0.03 0.00 0.09 0.00 0.00 178.44 179.90 2rgr h ALA 457 N 0.76 0.31 -0.69 1.53 0.00 -1.49 -1.08 119.26 118.60 2rgr h ALA 457 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2rgr h ALA 457 Cb 1.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2rgr h ALA 457 CO 0.12 -0.01 0.31 -0.24 0.00 0.00 0.00 179.25 179.43 2rgr h VAL 458 N 0.18 1.23 -0.99 0.00 3.04 -1.40 0.33 116.25 118.64 2rgr h VAL 458 Ca 0.07 -0.68 0.07 0.00 -1.01 0.00 0.00 66.70 65.15 2rgr h VAL 458 Cb 0.34 0.37 -0.07 0.00 -2.01 0.00 0.00 31.29 29.92 2rgr h VAL 458 CO 0.01 0.28 0.64 0.00 -1.01 0.00 0.00 177.57 177.49 2rgr h ALA 459 N 1.35 1.42 -0.35 3.17 0.00 -0.88 -2.20 119.26 121.78 2rgr h ALA 459 Ca 0.24 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2rgr h ALA 459 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2rgr h ALA 459 CO -0.03 0.42 -0.32 0.78 0.00 0.00 0.00 179.25 180.10 2rgr h GLY 460 N 1.15 0.83 2.00 0.00 0.00 0.50 -2.84 103.07 104.72 2rgr h GLY 460 Ca 0.43 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2rgr h GLY 460 CO -0.17 0.71 -0.00 1.41 0.00 0.00 0.00 176.54 178.49 2rgr h LEU 461 N 0.64 0.00 -0.46 3.11 3.38 0.16 0.18 115.31 122.32 2rgr h LEU 461 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2rgr h LEU 461 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2rgr h LEU 461 CO 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.36 2rgr h ALA 462 N 2.00 0.65 0.01 1.53 0.00 -1.33 -2.16 119.26 119.96 2rgr h ALA 462 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2rgr h ALA 462 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2rgr h ALA 462 CO 0.00 0.66 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 2rgr h VAL 463 N 0.83 1.68 0.00 0.00 2.07 -0.77 -3.37 116.25 116.69 2rgr h VAL 463 Ca 0.10 -2.15 -0.17 0.00 0.82 0.00 0.00 66.70 65.29 2rgr h VAL 463 Cb 0.82 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 2rgr h VAL 463 CO 0.07 0.57 -0.93 -0.37 0.02 0.00 0.00 177.57 176.93 2rgr h VAL 464 N -0.80 1.18 0.00 2.57 -1.51 -1.44 -3.49 116.25 112.76 2rgr h VAL 464 Ca -0.02 -2.75 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 2rgr h VAL 464 Cb 1.00 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 2rgr h VAL 464 CO 0.02 0.67 0.00 0.61 -1.23 0.00 0.00 177.57 177.65 2rgr n GLY 465 N 1.33 3.12 0.00 5.19 0.00 -0.82 -4.88 105.19 109.13 2rgr n GLY 465 Ca -0.02 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.67 2rgr n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rgr n ARG 466 N 0.96 0.00 0.21 1.61 5.12 -1.19 -3.45 116.66 119.93 2rgr n ARG 466 Ca 0.00 0.21 -0.09 0.00 -1.93 0.00 0.00 57.85 56.05 2rgr n ARG 466 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.75 2rgr n ARG 466 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2rgr h ASP 467 N 0.00 -0.48 -0.58 0.55 5.19 -1.91 0.47 116.42 119.66 2rgr h ASP 467 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2rgr h ASP 467 Cb 0.29 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2rgr h ASP 467 CO 0.00 -0.26 0.00 -1.22 -3.12 0.00 0.00 179.24 174.64 2rgr n TYR 468 N -3.97 1.39 -4.07 4.55 4.01 -1.25 -1.73 117.16 116.09 2rgr n TYR 468 Ca -0.07 -0.64 -0.13 0.00 -0.16 0.00 0.00 57.90 56.90 2rgr n TYR 468 Cb 0.22 -0.25 -0.12 0.00 -0.31 0.00 0.00 39.34 38.88 2rgr n TYR 468 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2rgr s TYR 469 N -1.95 0.57 0.32 -0.72 2.02 -1.22 -0.91 117.35 115.46 2rgr s TYR 469 Ca 0.48 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.72 2rgr s TYR 469 Cb 0.32 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.54 2rgr s TYR 469 CO 0.22 -0.07 0.52 0.20 -1.57 0.00 0.00 175.55 174.84 2rgr s GLY 470 N -1.18 1.05 -0.09 0.71 0.00 -0.98 -3.48 107.32 103.36 2rgr s GLY 470 Ca -0.07 -1.23 -0.18 0.00 0.00 0.00 0.00 44.72 43.24 2rgr s GLY 470 CO 0.00 -0.80 0.45 0.00 0.00 0.00 0.00 173.10 172.75 2rgr s TYR 472 N -0.62 -0.16 -0.13 0.00 5.04 -0.34 -2.21 117.35 118.93 2rgr s TYR 472 Ca -0.07 0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 54.74 2rgr s TYR 472 Cb -0.03 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.29 2rgr s TYR 472 CO 0.04 -0.10 0.61 -1.25 -1.34 0.00 0.00 175.55 173.51 2rgr s PRO 473 N -0.01 4.33 -0.23 4.97 0.04 -1.26 -2.08 135.00 140.75 2rgr s PRO 473 Ca -0.01 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 61.43 2rgr s PRO 473 Cb -0.02 -3.49 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 2rgr s PRO 473 CO 0.00 -0.02 0.87 -0.51 0.04 0.00 0.00 177.00 177.39 2rgr s LEU 474 N 1.15 4.10 0.03 -3.56 1.43 0.14 -4.83 118.68 117.13 2rgr s LEU 474 Ca 0.31 1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 2rgr s LEU 474 Cb -0.16 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 2rgr s LEU 474 CO 0.13 -0.53 1.13 0.03 0.23 0.00 0.00 176.35 177.34 2rgr h ARG 475 N 7.59 -0.06 0.00 1.70 3.08 -1.94 0.70 114.38 125.45 2rgr h ARG 475 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2rgr h ARG 475 Cb 1.09 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2rgr h ARG 475 CO 0.89 -0.04 0.00 0.41 -1.07 0.00 0.00 179.97 180.16 2rgr n GLY 476 N -1.08 1.96 1.96 0.04 0.00 -1.26 -3.98 105.19 102.84 2rgr n GLY 476 Ca -0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2rgr n GLY 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rgr n LYS 477 N 0.00 0.00 -4.16 1.61 4.76 -1.26 -4.90 118.16 114.21 2rgr n LYS 477 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 2rgr n LYS 477 Cb 0.00 -0.79 -0.05 0.00 -1.84 0.00 0.00 35.03 32.34 2rgr n LYS 477 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rgr s MET 478 N 1.30 2.72 -0.14 1.97 0.23 -1.26 -5.04 119.30 119.09 2rgr s MET 478 Ca 0.54 -1.13 -0.29 0.00 -1.03 0.00 0.00 55.69 53.78 2rgr s MET 478 Cb -0.77 -2.45 -0.07 0.00 -1.53 0.00 0.00 34.83 30.00 2rgr s MET 478 CO 0.41 0.40 2.13 -0.11 -2.03 0.00 0.00 175.02 175.82 2rgr n LEU 479 N -0.94 3.51 -4.63 0.18 7.94 -1.26 -4.93 117.00 116.86 2rgr n LEU 479 Ca -0.08 0.47 -0.43 0.00 -1.11 0.00 0.00 56.01 54.87 2rgr n LEU 479 Cb 0.58 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 2rgr n LEU 479 CO 0.42 -0.38 1.55 0.21 -1.11 0.00 0.00 177.39 178.08 2rgr s ASN 480 N 6.86 6.21 0.03 1.96 3.84 -1.26 -4.90 114.94 127.68 2rgr s ASN 480 Ca 0.97 2.02 0.25 0.00 0.21 0.00 0.00 52.86 56.32 2rgr s ASN 480 Cb -0.41 -2.53 0.60 0.00 -0.55 0.00 0.00 41.25 38.36 2rgr s ASN 480 CO 0.39 -1.34 1.49 1.33 -2.79 0.00 0.00 177.10 176.18 2rgr n VAL 481 N 6.41 0.10 -3.91 -5.21 0.24 -1.26 -4.76 118.33 109.93 2rgr n VAL 481 Ca 0.22 -0.07 -0.35 0.00 -2.04 0.00 0.00 64.34 62.09 2rgr n VAL 481 Cb 0.44 0.01 -0.14 0.00 -1.47 0.00 0.00 33.84 32.68 2rgr n VAL 481 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2rgr s ARG 482 N -3.04 2.90 -0.01 7.34 3.52 -1.26 -1.00 118.95 127.39 2rgr s ARG 482 Ca 0.10 -0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 2rgr s ARG 482 Cb 0.17 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2rgr s ARG 482 CO 0.67 -0.41 0.11 -1.21 -0.81 0.00 0.00 175.30 173.65 2rgr s GLU 483 N 1.37 3.17 -0.09 5.12 8.01 -1.26 -3.90 118.70 131.12 2rgr s GLU 483 Ca 0.01 -0.43 -0.16 0.00 0.01 0.00 0.00 54.97 54.39 2rgr s GLU 483 Cb -0.17 -2.93 0.04 0.00 -4.31 0.00 0.00 34.13 26.76 2rgr s GLU 483 CO -0.03 0.66 0.40 0.00 0.01 0.00 0.00 175.26 176.30 2rgr s ALA 484 N -1.22 -1.00 0.59 5.21 0.00 -0.17 -4.95 121.76 120.22 2rgr s ALA 484 Ca 0.23 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2rgr s ALA 484 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2rgr s ALA 484 CO 0.15 -0.24 1.11 -1.54 0.00 0.00 0.00 175.76 175.23 2rgr s SER 485 N -0.57 5.53 0.15 0.00 1.04 -1.26 -4.88 113.70 113.71 2rgr s SER 485 Ca -0.07 2.05 -0.22 0.00 0.48 0.00 0.00 55.95 58.20 2rgr s SER 485 Cb -0.04 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.54 2rgr s SER 485 CO 0.03 -1.35 1.64 0.00 0.98 0.00 0.00 173.24 174.55 2rgr h ALA 486 N 0.69 -0.09 -0.67 5.32 0.00 -1.99 -1.65 119.26 120.86 2rgr h ALA 486 Ca -0.48 0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.63 2rgr h ALA 486 Cb 1.25 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 2rgr h ALA 486 CO 0.56 -0.64 0.21 0.22 0.00 0.00 0.00 179.25 179.60 2rgr h ASP 487 N -0.22 0.13 -0.33 0.00 3.58 -1.98 0.21 116.42 117.80 2rgr h ASP 487 Ca 0.13 0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.73 2rgr h ASP 487 Cb 0.42 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2rgr h ASP 487 CO -0.35 0.05 0.10 -0.61 -2.88 0.00 0.00 179.24 175.55 2rgr h GLN 488 N 0.35 0.23 0.11 0.28 5.75 -1.68 -1.37 115.11 118.77 2rgr h GLN 488 Ca 0.36 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 58.56 2rgr h GLN 488 Cb 0.54 -0.05 0.02 0.00 1.07 0.00 0.00 27.48 29.06 2rgr h GLN 488 CO -0.40 0.15 -1.21 -0.84 -2.65 0.00 0.00 178.83 173.88 2rgr h ILE 489 N 0.24 1.35 -0.66 2.39 3.07 -0.88 -2.32 117.51 120.69 2rgr h ILE 489 Ca 0.15 -2.60 0.06 0.00 1.55 0.00 0.00 64.86 64.02 2rgr h ILE 489 Cb 0.14 2.72 -0.05 0.00 -0.27 0.00 0.00 36.82 39.35 2rgr h ILE 489 CO -0.17 0.78 0.36 -0.07 -1.05 0.00 0.00 178.15 178.00 2rgr h LEU 490 N 0.22 0.53 -0.34 0.16 3.38 -0.51 -2.15 115.31 116.60 2rgr h LEU 490 Ca -0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2rgr h LEU 490 Cb 1.88 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2rgr h LEU 490 CO 0.22 0.34 0.00 0.11 0.09 0.00 0.00 178.44 179.20 2rgr h LYS 491 N 0.67 0.00 -6.21 1.13 1.57 -1.25 -3.43 116.57 109.05 2rgr h LYS 491 Ca 0.30 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.55 2rgr h LYS 491 Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2rgr h LYS 491 CO -0.18 0.00 1.21 1.21 -0.57 0.00 0.00 179.45 181.12 2rgr s ASN 492 N -5.11 5.76 0.00 0.86 3.84 -0.81 -4.87 114.94 114.61 2rgr s ASN 492 Ca 0.07 0.22 0.19 0.00 0.21 0.00 0.00 52.86 53.55 2rgr s ASN 492 Cb 0.09 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 39.10 2rgr s ASN 492 CO 0.57 -2.02 1.61 0.00 -2.79 0.00 0.00 177.10 174.47 2rgr n ALA 493 N 10.92 1.91 -0.03 1.71 0.00 -1.26 -2.26 120.51 131.50 2rgr n ALA 493 Ca 0.14 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 2rgr n ALA 493 Cb 0.50 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2rgr n ALA 493 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2rgr h GLU 494 N 0.00 0.17 0.00 0.00 4.81 -1.93 -2.45 114.58 115.18 2rgr h GLU 494 Ca 0.00 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2rgr h GLU 494 Cb 0.29 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2rgr h GLU 494 CO 0.00 1.14 -0.01 -0.84 -0.73 0.00 0.00 179.01 178.57 2rgr h ILE 495 N -0.45 0.02 -0.21 2.32 3.07 -1.89 -1.39 117.51 118.99 2rgr h ILE 495 Ca -0.32 -0.54 -0.16 0.00 1.55 0.00 0.00 64.86 65.38 2rgr h ILE 495 Cb 1.66 1.52 -0.00 0.00 -0.27 0.00 0.00 36.82 39.72 2rgr h ILE 495 CO -0.01 0.01 -0.54 1.56 -1.05 0.00 0.00 178.15 178.11 2rgr h GLN 496 N 0.00 0.62 0.43 0.16 1.08 -1.52 -1.84 115.11 114.04 2rgr h GLN 496 Ca -0.00 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.79 2rgr h GLN 496 Cb 0.52 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2rgr h GLN 496 CO 0.00 1.00 -0.20 0.00 -0.95 0.00 0.00 178.83 178.68 2rgr h ALA 497 N 0.92 -0.57 -0.19 3.87 0.00 -0.78 -1.24 119.26 121.27 2rgr h ALA 497 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2rgr h ALA 497 Cb 1.10 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2rgr h ALA 497 CO 0.11 -0.69 0.13 0.82 0.00 0.00 0.00 179.25 179.61 2rgr h ILE 498 N -0.83 1.04 0.26 0.00 2.04 -1.39 -1.35 117.51 117.28 2rgr h ILE 498 Ca -0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2rgr h ILE 498 Cb 0.55 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2rgr h ILE 498 CO 0.10 0.05 -0.12 0.11 0.00 0.00 0.00 178.15 178.28 2rgr h LYS 499 N 0.25 -0.33 -0.26 2.37 1.57 -1.17 -2.11 116.57 116.89 2rgr h LYS 499 Ca 0.07 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2rgr h LYS 499 Cb -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2rgr h LYS 499 CO -0.02 -0.12 -0.39 0.87 -0.57 0.00 0.00 179.45 179.22 2rgr h LYS 500 N -0.49 0.60 0.02 3.15 1.57 -0.80 0.16 116.57 120.79 2rgr h LYS 500 Ca -0.04 -0.30 -0.27 0.00 -1.87 0.00 0.00 60.65 58.18 2rgr h LYS 500 Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.70 2rgr h LYS 500 CO 0.06 0.89 -1.06 -0.84 -0.57 0.00 0.00 179.45 177.93 2rgr h ILE 501 N 0.50 1.29 -0.06 1.86 3.07 -1.32 -2.93 117.51 119.91 2rgr h ILE 501 Ca 0.05 -2.27 -0.07 0.00 1.55 0.00 0.00 64.86 64.11 2rgr h ILE 501 Cb 0.89 2.45 -0.01 0.00 -0.27 0.00 0.00 36.82 39.88 2rgr h ILE 501 CO 0.08 0.70 -0.28 0.24 -1.05 0.00 0.00 178.15 177.84 2rgr h MET 502 N 0.35 0.10 0.00 0.16 2.86 -1.39 -3.41 114.93 113.59 2rgr h MET 502 Ca -0.14 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2rgr h MET 502 Cb 1.72 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.37 2rgr h MET 502 CO 0.21 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.97 2rgr n GLY 503 N -0.63 2.25 0.68 8.32 0.00 0.04 -0.06 105.19 115.79 2rgr n GLY 503 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2rgr n GLY 503 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rgr n LEU 504 N 0.00 -0.43 -4.77 0.99 4.77 -1.19 -4.38 117.00 111.99 2rgr n LEU 504 Ca 0.00 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.89 2rgr n LEU 504 Cb 0.00 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 2rgr n LEU 504 CO 0.00 -0.56 0.73 -1.10 -1.33 0.00 0.00 177.39 175.13 2rgr s GLN 505 N 0.00 4.39 -0.02 3.23 -0.21 -1.26 -4.84 119.66 120.95 2rgr s GLN 505 Ca 0.00 1.56 -0.05 0.00 0.02 0.00 0.00 55.36 56.88 2rgr s GLN 505 Cb 0.00 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 2rgr s GLN 505 CO 0.00 0.05 0.41 1.25 -2.12 0.00 0.00 175.29 174.88 2rgr h HIS 506 N 3.04 -0.18 -0.44 0.91 -0.00 -1.91 -3.43 115.15 113.14 2rgr h HIS 506 Ca -0.47 -0.00 -0.70 0.00 -0.00 0.00 0.00 60.37 59.19 2rgr h HIS 506 Cb 1.21 0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 28.61 2rgr h HIS 506 CO 0.59 -0.11 2.70 0.54 -0.00 0.00 0.00 177.93 181.65 2rgr n ARG 507 N -3.30 3.03 -3.76 5.26 1.74 -1.26 -4.80 116.66 113.57 2rgr n ARG 507 Ca -0.02 -2.93 -0.01 0.00 -0.77 0.00 0.00 57.85 54.12 2rgr n ARG 507 Cb 0.08 -3.34 0.02 0.00 -1.02 0.00 0.00 32.46 28.19 2rgr n ARG 507 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2rgr n LYS 508 N 6.80 0.43 -3.57 5.56 5.02 -1.26 -5.17 118.16 125.97 2rgr n LYS 508 Ca 0.50 -1.11 -0.37 0.00 -2.02 0.00 0.00 58.31 55.31 2rgr n LYS 508 Cb 0.41 1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 36.96 2rgr n LYS 508 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rgr s LYS 509 N -2.03 4.09 -0.05 1.97 1.02 -1.26 -4.49 119.74 118.99 2rgr s LYS 509 Ca 0.24 0.13 -0.18 0.00 0.02 0.00 0.00 55.97 56.18 2rgr s LYS 509 Cb -0.02 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2rgr s LYS 509 CO 0.03 0.39 0.49 0.71 -0.92 0.00 0.00 175.35 176.05 2rgr s TYR 510 N -0.01 3.63 0.00 3.18 2.02 -1.26 -4.88 117.35 120.03 2rgr s TYR 510 Ca 0.18 1.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 2rgr s TYR 510 Cb -0.14 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 2rgr s TYR 510 CO 0.06 0.37 0.00 -1.91 -1.57 0.00 0.00 175.55 172.49 2rgr n GLU 511 N 2.82 0.00 -4.24 -0.62 4.07 -1.26 -4.29 120.64 117.12 2rgr n GLU 511 Ca -0.09 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.74 2rgr n GLU 511 Cb 0.52 -0.75 -0.07 0.00 -0.06 0.00 0.00 31.44 31.08 2rgr n GLU 511 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2rgr s ASP 512 N -3.54 4.36 0.00 4.31 -0.00 -1.26 -4.93 116.67 115.60 2rgr s ASP 512 Ca 0.00 -1.23 0.10 0.00 -0.00 0.00 0.00 52.55 51.41 2rgr s ASP 512 Cb 0.00 -0.15 0.18 0.00 -0.00 0.00 0.00 42.92 42.95 2rgr s ASP 512 CO 0.00 -0.68 1.04 0.35 -0.00 0.00 0.00 175.17 175.87 2rgr n THR 513 N -1.31 0.54 0.21 -1.27 -2.24 -1.26 -4.71 114.28 104.25 2rgr n THR 513 Ca -0.05 -0.77 0.14 0.00 -2.27 0.00 0.00 64.05 61.10 2rgr n THR 513 Cb 0.65 0.82 0.73 0.00 -2.10 0.00 0.00 70.33 70.44 2rgr n THR 513 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2rgr h LYS 514 N 1.87 0.00 0.01 -0.78 6.56 -1.95 -2.41 116.57 119.87 2rgr h LYS 514 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 2rgr h LYS 514 Cb 0.57 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.19 2rgr h LYS 514 CO 0.00 0.00 -1.44 0.66 -2.06 0.00 0.00 179.45 176.61 2rgr h SER 515 N 0.00 0.03 -4.14 0.86 4.64 -1.97 -3.47 113.55 109.50 2rgr h SER 515 Ca 0.00 -0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 60.81 2rgr h SER 515 Cb 0.09 -0.01 0.12 0.00 -0.31 0.00 0.00 62.40 62.29 2rgr h SER 515 CO 0.00 1.05 0.38 -0.76 -0.87 0.00 0.00 176.83 176.62 2rgr s LEU 516 N -6.40 2.65 0.16 5.97 1.43 -0.91 -4.92 118.68 116.67 2rgr s LEU 516 Ca -0.03 0.48 0.14 0.00 -1.03 0.00 0.00 54.13 53.68 2rgr s LEU 516 Cb 0.09 -2.80 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 2rgr s LEU 516 CO 0.82 -2.19 1.18 0.03 0.23 0.00 0.00 176.35 176.42 2rgr h ARG 517 N -1.20 0.00 -5.63 1.70 3.08 -0.70 -3.42 114.38 108.21 2rgr h ARG 517 Ca -0.45 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.07 2rgr h ARG 517 Cb 1.29 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.05 2rgr h ARG 517 CO 0.53 0.53 -0.83 0.71 -1.07 0.00 0.00 179.97 179.83 2rgr s TYR 518 N -2.88 1.53 -0.58 3.04 2.02 -1.23 -2.59 117.35 116.66 2rgr s TYR 518 Ca 0.01 -0.29 0.23 0.00 -0.37 0.00 0.00 57.07 56.64 2rgr s TYR 518 Cb 0.08 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 2rgr s TYR 518 CO 0.78 -0.02 0.98 0.41 -1.57 0.00 0.00 175.55 176.13 2rgr n GLY 519 N 2.60 -1.19 2.96 0.71 0.00 0.24 -4.78 105.19 105.74 2rgr n GLY 519 Ca -0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2rgr n GLY 519 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rgr s HIS 520 N -3.21 0.08 -0.02 1.61 3.76 -0.84 -4.74 115.29 111.91 2rgr s HIS 520 Ca 0.03 -0.16 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2rgr s HIS 520 Cb 0.14 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 2rgr s HIS 520 CO 0.81 -0.12 -0.19 -1.17 -0.85 0.00 0.00 174.74 173.23 2rgr s LEU 521 N -0.70 2.00 -0.01 0.89 2.96 0.71 -0.09 118.68 124.45 2rgr s LEU 521 Ca -0.08 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2rgr s LEU 521 Cb -0.05 -0.99 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 2rgr s LEU 521 CO -0.00 0.21 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.83 2rgr s MET 522 N -0.29 0.74 -0.23 1.98 -2.45 0.58 0.49 119.30 120.12 2rgr s MET 522 Ca 0.04 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.13 2rgr s MET 522 Cb -0.09 -0.71 -0.01 0.00 1.25 0.00 0.00 34.83 35.27 2rgr s MET 522 CO 0.00 0.17 -0.02 0.42 1.05 0.00 0.00 175.02 176.64 2rgr s ILE 523 N -0.11 3.51 -0.88 10.11 1.01 -0.95 -0.59 121.20 133.29 2rgr s ILE 523 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2rgr s ILE 523 Cb -0.04 -2.62 0.23 0.00 0.01 0.00 0.00 42.46 40.03 2rgr s ILE 523 CO -0.00 0.38 0.82 -0.04 0.00 0.00 0.00 174.94 176.10 2rgr s MET 524 N 1.49 3.64 0.55 2.79 -1.94 0.91 -1.54 119.30 125.19 2rgr s MET 524 Ca 0.05 -2.67 -0.06 0.00 -1.71 0.00 0.00 55.69 51.31 2rgr s MET 524 Cb -0.15 -4.38 -0.01 0.00 2.01 0.00 0.00 34.83 32.30 2rgr s MET 524 CO -0.02 -1.27 0.85 -0.08 -0.01 0.00 0.00 175.02 174.49 2rgr s THR 525 N -0.24 4.18 -0.36 2.05 -1.32 -1.26 -1.94 115.64 116.75 2rgr s THR 525 Ca 0.21 0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.80 2rgr s THR 525 Cb -0.11 -3.63 0.43 0.00 -1.51 0.00 0.00 72.50 67.69 2rgr s THR 525 CO -0.08 -0.63 1.74 -0.90 -2.21 0.00 0.00 174.62 172.54 2rgr n ASP 526 N -2.45 4.43 -1.40 8.08 5.75 -1.26 -4.85 116.55 124.85 2rgr n ASP 526 Ca 0.03 -3.19 -0.15 0.00 -0.01 0.00 0.00 54.79 51.47 2rgr n ASP 526 Cb 0.56 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 2rgr n ASP 526 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2rgr n GLN 527 N -0.54 -1.11 -2.06 0.11 -0.06 -1.26 -4.25 117.38 108.21 2rgr n GLN 527 Ca 0.43 0.89 -0.03 0.00 -2.00 0.00 0.00 57.00 56.29 2rgr n GLN 527 Cb 1.14 -5.11 -0.00 0.00 -4.06 0.00 0.00 30.24 22.21 2rgr n GLN 527 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2rgr n ASP 528 N -0.61 1.77 0.04 1.69 5.68 -1.26 -4.93 116.55 118.92 2rgr n ASP 528 Ca -0.16 -1.21 -0.13 0.00 -0.50 0.00 0.00 54.79 52.79 2rgr n ASP 528 Cb 0.56 0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.47 2rgr n ASP 528 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2rgr h HIS 529 N 0.83 -0.07 0.00 2.11 3.86 -1.96 -2.45 115.15 117.48 2rgr h HIS 529 Ca -0.04 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2rgr h HIS 529 Cb 0.13 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 2rgr h HIS 529 CO 0.00 0.19 -0.06 -0.44 0.86 0.00 0.00 177.93 178.48 2rgr h ASP 530 N -0.32 0.00 0.32 2.45 3.32 -1.97 -1.05 116.42 119.16 2rgr h ASP 530 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2rgr h ASP 530 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2rgr h ASP 530 CO 0.01 0.06 -0.32 1.23 -1.72 0.00 0.00 179.24 178.50 2rgr h GLY 531 N 0.56 -0.73 1.84 2.75 0.00 -1.82 -2.12 103.07 103.55 2rgr h GLY 531 Ca -0.00 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.72 2rgr h GLY 531 CO 0.01 -0.27 0.06 1.76 0.00 0.00 0.00 176.54 178.09 2rgr h SER 532 N -0.66 0.00 -0.01 0.19 0.02 -0.94 0.28 113.55 112.42 2rgr h SER 532 Ca -0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2rgr h SER 532 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2rgr h SER 532 CO -0.06 0.00 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.75 2rgr h HIS 533 N 0.00 0.32 -0.08 3.45 6.17 -0.99 -1.28 115.15 122.75 2rgr h HIS 533 Ca 0.04 -0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.02 2rgr h HIS 533 Cb 0.16 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2rgr h HIS 533 CO 0.00 0.44 -0.19 0.82 0.71 0.00 0.00 177.93 179.71 2rgr h ILE 534 N 0.29 1.42 -0.29 6.26 1.08 0.18 -1.83 117.51 124.61 2rgr h ILE 534 Ca 0.06 -1.53 0.06 0.00 -0.39 0.00 0.00 64.86 63.06 2rgr h ILE 534 Cb 0.42 2.22 -0.05 0.00 -3.07 0.00 0.00 36.82 36.34 2rgr h ILE 534 CO 0.02 0.43 -0.06 0.11 -0.69 0.00 0.00 178.15 177.96 2rgr h LYS 535 N -0.22 0.01 -0.33 2.37 1.57 -1.14 -1.05 116.57 117.78 2rgr h LYS 535 Ca -0.00 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2rgr h LYS 535 Cb 0.79 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2rgr h LYS 535 CO 0.04 0.01 0.20 0.78 -0.57 0.00 0.00 179.45 179.91 2rgr h GLY 536 N 0.01 0.45 0.91 3.86 0.00 -1.26 0.12 103.07 107.17 2rgr h GLY 536 Ca 0.14 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.42 2rgr h GLY 536 CO -0.29 0.14 0.47 1.41 0.00 0.00 0.00 176.54 178.26 2rgr h LEU 537 N 0.40 0.51 -0.12 3.11 3.38 -0.85 0.12 115.31 121.86 2rgr h LEU 537 Ca 0.13 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2rgr h LEU 537 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2rgr h LEU 537 CO -0.05 0.30 -0.39 0.40 0.09 0.00 0.00 178.44 178.79 2rgr h ILE 538 N 0.56 1.37 -0.45 1.22 2.04 0.02 -1.22 117.51 121.05 2rgr h ILE 538 Ca 0.33 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.55 2rgr h ILE 538 Cb 0.52 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.66 2rgr h ILE 538 CO -0.11 0.51 0.18 0.40 0.00 0.00 0.00 178.15 179.13 2rgr h ILE 539 N 0.08 0.89 0.07 -0.67 2.04 -0.21 0.18 117.51 119.89 2rgr h ILE 539 Ca -0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2rgr h ILE 539 Cb 1.01 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2rgr h ILE 539 CO 0.08 0.07 -0.13 -1.13 0.00 0.00 0.00 178.15 177.04 2rgr h ASN 540 N 0.37 -0.36 -0.22 1.72 -1.24 -0.74 0.17 115.58 115.29 2rgr h ASN 540 Ca 0.21 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.31 2rgr h ASN 540 Cb 0.18 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.31 2rgr h ASN 540 CO -0.19 -0.19 -0.12 0.15 -1.29 0.00 0.00 177.43 175.78 2rgr h PHE 541 N -0.26 -0.30 -0.54 0.67 3.57 -0.90 -0.80 116.94 118.39 2rgr h PHE 541 Ca 0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2rgr h PHE 541 Cb 0.27 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2rgr h PHE 541 CO -0.15 -0.19 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.61 2rgr h LEU 542 N -0.11 0.98 -0.13 0.59 3.38 -0.71 -0.87 115.31 118.45 2rgr h LEU 542 Ca 0.12 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2rgr h LEU 542 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rgr h LEU 542 CO -0.28 1.08 0.00 1.21 0.09 0.00 0.00 178.44 180.54 2rgr n GLU 543 N -4.21 0.12 -0.11 1.13 0.00 0.58 -2.81 120.64 115.34 2rgr n GLU 543 Ca 0.01 0.19 -0.22 0.00 0.00 0.00 0.00 57.16 57.14 2rgr n GLU 543 Cb 0.37 -1.67 -0.08 0.00 0.00 0.00 0.00 31.44 30.06 2rgr n GLU 543 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2rgr n SER 544 N -1.88 1.69 0.21 4.31 2.88 -0.33 -4.58 113.62 115.91 2rgr n SER 544 Ca 0.05 0.21 0.14 0.00 -1.33 0.00 0.00 58.87 57.94 2rgr n SER 544 Cb 0.32 -0.60 0.50 0.00 -0.75 0.00 0.00 64.21 63.68 2rgr n SER 544 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2rgr h SER 545 N -0.67 0.00 -2.33 -3.46 0.02 -1.27 -3.41 113.55 102.44 2rgr h SER 545 Ca -0.55 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.04 2rgr h SER 545 Cb 1.53 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.72 2rgr h SER 545 CO -0.30 0.00 -0.66 -0.36 -1.14 0.00 0.00 176.83 174.37 2rgr s PHE 546 N -3.42 -0.29 0.12 3.45 0.40 -1.12 -4.85 117.98 112.27 2rgr s PHE 546 Ca 0.04 -0.23 -0.31 0.00 -0.60 0.00 0.00 56.93 55.84 2rgr s PHE 546 Cb 0.09 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 43.01 2rgr s PHE 546 CO 0.54 -0.85 1.57 -0.07 0.70 0.00 0.00 175.22 177.11 2rgr h LEU 547 N 8.30 -1.43 0.00 -0.37 3.38 -1.80 -3.06 115.31 120.33 2rgr h LEU 547 Ca -0.15 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2rgr h LEU 547 Cb 1.08 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2rgr h LEU 547 CO 0.35 -0.46 -0.18 0.61 0.09 0.00 0.00 178.44 178.84 2rgr n GLY 548 N -1.45 -1.49 0.44 0.83 0.00 -1.26 -4.38 105.19 97.88 2rgr n GLY 548 Ca -0.05 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2rgr n GLY 548 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rgr h LEU 549 N 0.00 -1.36 0.00 0.99 5.85 -1.74 -1.52 115.31 117.53 2rgr h LEU 549 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2rgr h LEU 549 Cb 0.59 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2rgr h LEU 549 CO 0.00 -0.53 0.00 0.18 -0.34 0.00 0.00 178.44 177.75 2rgr n LEU 550 N -5.14 0.00 0.07 2.25 4.77 -1.26 -0.53 117.00 117.15 2rgr n LEU 550 Ca -0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2rgr n LEU 550 Cb 0.38 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.74 2rgr n LEU 550 CO 0.17 0.00 0.55 0.47 -1.33 0.00 0.00 177.39 177.25 2rgr n ASP 551 N -0.84 0.71 -4.54 -1.43 8.00 -0.57 -1.42 116.55 116.46 2rgr n ASP 551 Ca 0.09 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 2rgr n ASP 551 Cb 0.04 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 2rgr n ASP 551 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rgr s ILE 552 N -3.13 4.12 0.12 0.53 1.01 0.31 -4.68 121.20 119.47 2rgr s ILE 552 Ca 0.08 0.50 -0.33 0.00 0.00 0.00 0.00 60.65 60.90 2rgr s ILE 552 Cb 0.13 -4.69 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 2rgr s ILE 552 CO 0.67 -1.36 1.73 1.67 0.00 0.00 0.00 174.94 177.65 2rgr n GLN 553 N 8.21 2.46 -0.49 2.79 -0.06 -1.26 -2.68 117.38 126.34 2rgr n GLN 553 Ca 0.04 0.89 0.00 0.00 -2.00 0.00 0.00 57.00 55.93 2rgr n GLN 553 Cb 0.48 -2.73 0.00 0.00 -4.06 0.00 0.00 30.24 23.94 2rgr n GLN 553 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2rgr n GLY 554 N 3.90 0.73 0.10 1.69 0.00 -1.26 -4.97 105.19 105.39 2rgr n GLY 554 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2rgr n GLY 554 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2rgr h PHE 555 N 0.00 0.27 -3.70 1.61 3.57 -1.78 -3.45 116.94 113.46 2rgr h PHE 555 Ca 0.00 -0.19 -0.65 0.00 3.53 0.00 0.00 57.97 60.66 2rgr h PHE 555 Cb 0.00 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 38.52 2rgr h PHE 555 CO 0.00 1.29 -0.59 -1.17 -2.23 0.00 0.00 178.31 175.61 2rgr s LEU 556 N -6.67 3.63 0.48 0.59 2.96 -1.26 -0.21 118.68 118.21 2rgr s LEU 556 Ca -0.09 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2rgr s LEU 556 Cb 0.07 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2rgr s LEU 556 CO 0.83 -0.05 0.21 -0.76 -1.32 0.00 0.00 176.35 175.25 2rgr s LEU 557 N 1.65 2.77 -0.23 -0.68 1.43 0.18 -1.00 118.68 122.79 2rgr s LEU 557 Ca 0.06 -1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 51.83 2rgr s LEU 557 Cb -0.15 -1.17 0.12 0.00 0.03 0.00 0.00 46.19 45.01 2rgr s LEU 557 CO 0.06 -0.81 0.43 -0.70 0.23 0.00 0.00 176.35 175.55 2rgr s GLU 558 N -4.02 0.36 -0.16 1.70 2.12 -0.20 -2.24 118.70 116.25 2rgr s GLU 558 Ca 0.30 0.85 -0.23 0.00 0.36 0.00 0.00 54.97 56.24 2rgr s GLU 558 Cb 0.01 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 2rgr s GLU 558 CO 0.17 -0.44 0.74 0.12 -0.54 0.00 0.00 175.26 175.31 2rgr s PHE 559 N 2.62 3.43 0.13 5.30 2.19 -0.59 -1.47 117.98 129.59 2rgr s PHE 559 Ca 0.06 1.13 0.08 0.00 0.33 0.00 0.00 56.93 58.53 2rgr s PHE 559 Cb -0.14 -2.90 -0.04 0.00 -1.31 0.00 0.00 43.02 38.63 2rgr s PHE 559 CO -0.15 -0.17 -0.11 0.96 1.83 0.00 0.00 175.22 177.58 2rgr s ILE 560 N 1.85 3.21 0.17 3.12 -4.36 0.28 -4.48 121.20 120.99 2rgr s ILE 560 Ca 0.35 -1.43 0.09 0.00 -0.26 0.00 0.00 60.65 59.40 2rgr s ILE 560 Cb -0.16 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2rgr s ILE 560 CO 0.12 0.05 -0.19 0.42 0.24 0.00 0.00 174.94 175.58 2rgr s THR 561 N -1.34 1.88 0.56 8.37 -4.23 -1.26 -4.76 115.64 114.86 2rgr s THR 561 Ca 0.22 -1.91 -0.21 0.00 -1.18 0.00 0.00 61.69 58.61 2rgr s THR 561 Cb -0.10 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 2rgr s THR 561 CO 0.13 -0.28 1.30 -2.84 -0.54 0.00 0.00 174.62 172.39 2rgr s PRO 562 N -2.73 3.09 -0.06 3.99 0.02 -1.26 -4.83 135.00 133.22 2rgr s PRO 562 Ca 0.16 2.08 0.21 0.00 0.02 0.00 0.00 61.00 63.46 2rgr s PRO 562 Cb -0.06 -2.15 -0.29 0.00 0.02 0.00 0.00 34.50 32.02 2rgr s PRO 562 CO 0.07 -1.18 0.41 0.44 -0.33 0.00 0.00 177.00 176.41 2rgr n ILE 563 N -1.21 0.47 -3.83 2.83 -5.35 0.93 -4.70 119.36 108.51 2rgr n ILE 563 Ca 0.11 -0.61 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 2rgr n ILE 563 Cb 0.47 -0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.06 2rgr n ILE 563 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2rgr s ILE 564 N -3.20 0.01 -0.11 7.28 1.01 -1.02 -0.91 121.20 124.26 2rgr s ILE 564 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.55 2rgr s ILE 564 Cb 0.11 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.40 2rgr s ILE 564 CO 0.88 -0.02 -0.16 -0.75 0.00 0.00 0.00 174.94 174.88 2rgr s LYS 565 N -0.02 2.32 -0.14 2.79 2.20 -0.19 -0.55 119.74 126.15 2rgr s LYS 565 Ca -0.01 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2rgr s LYS 565 Cb -0.01 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 2rgr s LYS 565 CO 0.00 -0.03 0.09 0.08 -0.36 0.00 0.00 175.35 175.13 2rgr s VAL 566 N 0.89 5.07 -0.59 4.02 1.01 -1.12 0.29 120.40 129.97 2rgr s VAL 566 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2rgr s VAL 566 Cb -0.15 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.15 2rgr s VAL 566 CO -0.00 0.54 0.38 -0.55 0.00 0.00 0.00 175.10 175.47 2rgr s SER 567 N -0.39 4.93 -0.14 3.32 0.15 0.90 -2.31 113.70 120.17 2rgr s SER 567 Ca 0.10 -2.92 -0.29 0.00 0.70 0.00 0.00 55.95 53.54 2rgr s SER 567 Cb -0.12 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 2rgr s SER 567 CO 0.02 -0.32 1.48 -0.63 1.20 0.00 0.00 173.24 174.99 2rgr s ILE 568 N -0.16 3.90 -0.09 6.45 1.01 -1.25 -2.39 121.20 128.67 2rgr s ILE 568 Ca 0.17 1.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.84 2rgr s ILE 568 Cb -0.22 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2rgr s ILE 568 CO -0.02 -0.15 -0.12 1.07 0.00 0.00 0.00 174.94 175.71 2rgr n THR 569 N 5.62 0.54 -4.50 2.92 5.66 -0.25 -3.42 114.28 120.86 2rgr n THR 569 Ca 0.16 -0.13 -0.23 0.00 -3.05 0.00 0.00 64.05 60.80 2rgr n THR 569 Cb 0.44 -1.63 -0.16 0.00 -1.55 0.00 0.00 70.33 67.42 2rgr n THR 569 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2rgr s LYS 570 N -2.18 1.43 -0.83 1.09 1.02 -1.25 -3.01 119.74 116.01 2rgr s LYS 570 Ca -0.13 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 2rgr s LYS 570 Cb 0.05 -1.23 0.35 0.00 -0.52 0.00 0.00 37.83 36.48 2rgr s LYS 570 CO 0.17 0.04 1.89 -0.35 -0.92 0.00 0.00 175.35 176.18 2rgr n PRO 571 N 3.71 3.18 -3.71 -1.68 -0.04 -1.26 -2.46 135.00 132.75 2rgr n PRO 571 Ca -0.22 -3.79 -0.08 0.00 -0.04 0.00 0.00 63.50 59.37 2rgr n PRO 571 Cb 0.52 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 2rgr n PRO 571 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2rgr s THR 572 N -5.02 0.00 -0.00 0.52 -1.32 -1.17 -5.13 115.64 103.52 2rgr s THR 572 Ca 0.50 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 2rgr s THR 572 Cb 0.40 -1.68 0.01 0.00 -1.51 0.00 0.00 72.50 69.71 2rgr s THR 572 CO -0.35 0.00 0.91 0.29 -2.21 0.00 0.00 174.62 173.26 2rgr n LYS 573 N -0.43 0.05 -1.44 7.08 5.02 -1.22 -2.17 118.16 125.05 2rgr n LYS 573 Ca -0.08 -0.95 -0.44 0.00 -2.02 0.00 0.00 58.31 54.82 2rgr n LYS 573 Cb 0.61 -0.53 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 2rgr n LYS 573 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rgr n ASN 574 N -0.04 -0.82 -4.40 4.39 5.15 -1.26 -4.56 115.26 113.72 2rgr n ASN 574 Ca 0.00 1.01 -0.35 0.00 -0.60 0.00 0.00 54.58 54.64 2rgr n ASN 574 Cb 0.66 -1.07 -0.13 0.00 -0.53 0.00 0.00 39.78 38.71 2rgr n ASN 574 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2rgr s THR 575 N -1.29 3.78 0.52 -0.44 2.01 -1.26 -3.82 115.64 115.15 2rgr s THR 575 Ca 0.62 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.33 2rgr s THR 575 Cb -0.72 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2rgr s THR 575 CO 0.59 0.41 0.55 -0.63 -0.69 0.00 0.00 174.62 174.85 2rgr s ILE 576 N 1.24 2.11 0.00 1.82 1.09 -0.98 -5.02 121.20 121.48 2rgr s ILE 576 Ca 0.03 -1.25 -0.05 0.00 -1.10 0.00 0.00 60.65 58.28 2rgr s ILE 576 Cb -0.15 -2.36 -0.00 0.00 -1.06 0.00 0.00 42.46 38.89 2rgr s ILE 576 CO 0.01 0.00 0.10 0.00 -0.10 0.00 0.00 174.94 174.94 2rgr s ALA 577 N -2.65 -0.22 -0.03 9.38 0.00 -1.26 -2.79 121.76 124.19 2rgr s ALA 577 Ca 0.48 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.24 2rgr s ALA 577 Cb -0.04 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2rgr s ALA 577 CO 0.30 -0.19 -0.03 -0.06 0.00 0.00 0.00 175.76 175.78 2rgr s PHE 578 N -1.34 0.52 -2.12 0.00 0.08 0.28 -4.99 117.98 110.42 2rgr s PHE 578 Ca -0.14 -0.10 0.18 0.00 0.12 0.00 0.00 56.93 56.99 2rgr s PHE 578 Cb -0.08 -0.48 0.24 0.00 -0.57 0.00 0.00 43.02 42.13 2rgr s PHE 578 CO 0.01 -0.12 1.18 0.66 -0.10 0.00 0.00 175.22 176.85 2rgr n TYR 579 N 3.80 0.20 -4.18 0.36 4.02 -1.26 -0.05 117.16 120.05 2rgr n TYR 579 Ca -0.23 -0.13 -0.12 0.00 -0.01 0.00 0.00 57.90 57.41 2rgr n TYR 579 Cb 0.52 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.75 2rgr n TYR 579 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2rgr s ASN 580 N -1.40 0.25 0.00 7.72 2.47 -1.26 -4.62 114.94 118.10 2rgr s ASN 580 Ca 0.26 -1.36 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2rgr s ASN 580 Cb 0.17 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 2rgr s ASN 580 CO 0.24 -0.90 0.00 0.80 -3.72 0.00 0.00 177.10 173.52 2rgr n MET 581 N -0.32 0.00 -0.32 0.43 1.56 -1.26 -3.23 117.12 113.98 2rgr n MET 581 Ca 0.02 0.40 0.30 0.00 -0.27 0.00 0.00 57.70 58.15 2rgr n MET 581 Cb 0.65 -0.90 0.55 0.00 2.15 0.00 0.00 33.22 35.67 2rgr n MET 581 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2rgr n PRO 582 N -1.88 -0.06 -0.19 2.12 -0.02 -1.26 0.16 135.00 133.86 2rgr n PRO 582 Ca 0.00 1.38 -0.02 0.00 -2.02 0.00 0.00 63.50 62.84 2rgr n PRO 582 Cb 0.00 -2.44 0.05 0.00 -0.02 0.00 0.00 33.50 31.09 2rgr n PRO 582 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2rgr h ASP 583 N 0.00 -0.56 -0.01 2.55 3.32 -1.98 -2.69 116.42 117.05 2rgr h ASP 583 Ca 0.81 0.18 -0.04 0.00 0.02 0.00 0.00 57.03 58.00 2rgr h ASP 583 Cb 2.12 0.37 0.00 0.00 0.22 0.00 0.00 39.33 42.04 2rgr h ASP 583 CO -0.78 -0.20 -0.14 0.22 -1.72 0.00 0.00 179.24 176.62 2rgr h TYR 584 N -0.01 0.15 -0.87 4.55 3.20 0.15 -3.19 116.97 120.97 2rgr h TYR 584 Ca 0.28 -0.08 0.25 0.00 3.14 0.00 0.00 58.73 62.32 2rgr h TYR 584 Cb 0.43 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2rgr h TYR 584 CO -0.49 0.84 0.84 0.93 -1.64 0.00 0.00 178.16 178.65 2rgr h GLU 585 N -0.58 0.00 0.02 1.82 5.08 -0.66 0.30 114.58 120.55 2rgr h GLU 585 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2rgr h GLU 585 Cb 0.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2rgr h GLU 585 CO 0.03 0.00 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.31 2rgr h LYS 586 N 0.00 0.31 -0.25 2.33 3.64 -1.46 -2.89 116.57 118.25 2rgr h LYS 586 Ca 0.41 -0.36 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2rgr h LYS 586 Cb 2.08 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 34.00 2rgr h LYS 586 CO -0.00 1.07 0.21 2.35 -2.27 0.00 0.00 179.45 180.80 2rgr h TRP 587 N -0.29 0.00 0.45 1.91 7.01 -1.02 -3.17 115.95 120.84 2rgr h TRP 587 Ca -0.07 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2rgr h TRP 587 Cb 1.26 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 2rgr h TRP 587 CO 0.17 0.00 -0.22 -0.09 -2.79 0.00 0.00 178.44 175.51 2rgr h ARG 588 N 0.00 -0.58 -1.74 2.65 2.43 -1.26 0.29 114.38 116.17 2rgr h ARG 588 Ca 0.12 0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.13 2rgr h ARG 588 Cb 0.54 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 2rgr h ARG 588 CO -0.00 -0.39 0.23 0.39 -1.51 0.00 0.00 179.97 178.69 2rgr n GLU 589 N -4.74 1.53 0.10 0.20 4.71 -1.10 -2.69 120.64 118.63 2rgr n GLU 589 Ca -0.08 -0.98 0.00 0.00 -0.01 0.00 0.00 57.16 56.10 2rgr n GLU 589 Cb 0.24 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2rgr n GLU 589 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2rgr n GLU 590 N 0.88 0.00 0.00 3.49 4.07 -1.18 -4.99 120.64 122.91 2rgr n GLU 590 Ca 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 2rgr n GLU 590 Cb 0.56 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 2rgr n GLU 590 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2rgr n GLU 591 N -3.28 0.68 -0.31 5.31 4.71 0.97 -4.77 120.64 123.94 2rgr n GLU 591 Ca 0.00 -0.02 0.12 0.00 -0.01 0.00 0.00 57.16 57.24 2rgr n GLU 591 Cb 0.00 -0.23 0.29 0.00 -1.01 0.00 0.00 31.44 30.49 2rgr n GLU 591 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2rgr h SER 592 N 0.00 0.51 -0.21 1.62 4.64 -1.15 1.11 113.55 120.07 2rgr h SER 592 Ca 0.00 0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2rgr h SER 592 Cb 0.13 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2rgr h SER 592 CO 0.00 0.13 0.17 1.12 -0.87 0.00 0.00 176.83 177.38 2rgr h HIS 593 N 0.55 0.00 0.00 4.77 2.07 -1.86 -2.86 115.15 117.82 2rgr h HIS 593 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 2rgr h HIS 593 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 2rgr h HIS 593 CO -0.09 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.64 2rgr h LYS 594 N 0.00 0.00 0.00 5.12 1.57 0.97 -3.45 116.57 120.77 2rgr h LYS 594 Ca 0.10 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 2rgr h LYS 594 Cb 0.44 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 2rgr h LYS 594 CO -0.00 0.00 -0.29 1.19 -0.57 0.00 0.00 179.45 179.78 2rgr n PHE 595 N -2.87 -0.75 -3.75 -1.35 3.01 -1.08 -5.07 117.46 105.59 2rgr n PHE 595 Ca -0.00 -2.01 -0.36 0.00 1.01 0.00 0.00 57.45 56.09 2rgr n PHE 595 Cb 0.20 0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 2rgr n PHE 595 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2rgr s THR 596 N -2.93 5.31 0.07 4.37 2.01 -1.03 -4.99 115.64 118.46 2rgr s THR 596 Ca 0.28 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.27 2rgr s THR 596 Cb 0.01 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 69.06 2rgr s THR 596 CO 0.20 0.45 0.91 -1.66 -0.69 0.00 0.00 174.62 173.83 2rgr s TRP 597 N -1.21 -0.26 -0.06 4.92 1.48 -1.26 -1.09 118.94 121.47 2rgr s TRP 597 Ca 0.24 0.04 -0.11 0.00 -1.06 0.00 0.00 56.10 55.21 2rgr s TRP 597 Cb -0.13 0.59 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 2rgr s TRP 597 CO 0.13 -0.69 0.27 0.21 -4.06 0.00 0.00 176.95 172.82 2rgr s LYS 598 N -3.22 0.47 0.16 3.25 2.20 -1.01 -4.95 119.74 116.65 2rgr s LYS 598 Ca 0.08 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2rgr s LYS 598 Cb -0.01 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2rgr s LYS 598 CO -0.04 -0.10 0.30 1.14 -0.36 0.00 0.00 175.35 176.29 2rgr s GLN 599 N -0.56 3.45 -0.07 4.03 -2.07 -1.26 -0.07 119.66 123.11 2rgr s GLN 599 Ca -0.07 -0.57 -0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2rgr s GLN 599 Cb -0.04 -2.94 0.03 0.00 -1.09 0.00 0.00 33.01 28.96 2rgr s GLN 599 CO 0.02 0.50 0.00 0.21 -1.32 0.00 0.00 175.29 174.70 2rgr s LYS 600 N -3.29 0.58 0.12 9.60 2.20 0.15 -4.95 119.74 124.15 2rgr s LYS 600 Ca 0.35 0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 2rgr s LYS 600 Cb -0.11 -0.91 -0.06 0.00 -1.51 0.00 0.00 37.83 35.24 2rgr s LYS 600 CO 0.29 -0.28 1.01 0.71 -0.36 0.00 0.00 175.35 176.72 2rgr s TYR 601 N 1.84 3.73 -0.86 4.03 1.51 -1.26 -1.02 117.35 125.32 2rgr s TYR 601 Ca 0.03 1.72 -0.05 0.00 -1.01 0.00 0.00 57.07 57.76 2rgr s TYR 601 Cb -0.12 -3.13 0.22 0.00 -0.11 0.00 0.00 41.96 38.81 2rgr s TYR 601 CO -0.04 -0.08 0.75 0.71 -1.11 0.00 0.00 175.55 175.77 2rgr s TYR 602 N 0.04 3.82 -2.28 2.71 1.51 -0.09 -4.89 117.35 118.17 2rgr s TYR 602 Ca 0.48 -2.77 0.24 0.00 -1.01 0.00 0.00 57.07 54.01 2rgr s TYR 602 Cb -0.25 -3.40 1.00 0.00 -0.11 0.00 0.00 41.96 39.20 2rgr s TYR 602 CO 0.31 -0.83 1.69 1.63 -1.11 0.00 0.00 175.55 177.25 2rgr n LYS 603 N 2.86 1.54 -3.63 -0.62 5.02 -1.26 -4.69 118.16 117.37 2rgr n LYS 603 Ca 0.18 -0.80 -0.03 0.00 -2.02 0.00 0.00 58.31 55.64 2rgr n LYS 603 Cb 0.39 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2rgr n LYS 603 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2rgr s GLY 604 N -1.74 -0.21 0.69 0.72 0.00 -1.26 -4.83 107.32 100.69 2rgr s GLY 604 Ca 0.35 1.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.78 2rgr s GLY 604 CO 0.29 0.63 1.25 1.04 0.00 0.00 0.00 173.10 176.31 2rgr n LEU 605 N -0.01 5.51 0.00 0.66 4.77 -1.26 -3.06 117.00 123.61 2rgr n LEU 605 Ca 0.04 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 2rgr n LEU 605 Cb 0.57 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2rgr n LEU 605 CO 0.08 -1.23 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 2rgr n GLY 606 N 0.84 0.87 0.05 -0.72 0.00 -1.26 -4.75 105.19 100.21 2rgr n GLY 606 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2rgr n GLY 606 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rgr n THR 607 N -2.00 0.25 -2.16 2.61 5.66 -1.17 -4.86 114.28 112.61 2rgr n THR 607 Ca 0.00 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.37 2rgr n THR 607 Cb 0.00 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 2rgr n THR 607 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2rgr s SER 608 N -3.93 6.81 0.87 1.09 0.01 -1.26 -5.02 113.70 112.27 2rgr s SER 608 Ca 0.07 2.27 -0.10 0.00 1.31 0.00 0.00 55.95 59.49 2rgr s SER 608 Cb 0.14 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.92 2rgr s SER 608 CO 0.73 -0.71 1.12 -0.76 0.41 0.00 0.00 173.24 174.03 2rgr s LEU 609 N 1.79 2.81 0.08 2.44 1.43 -1.26 -4.86 118.68 121.11 2rgr s LEU 609 Ca 0.65 2.01 -0.34 0.00 -1.03 0.00 0.00 54.13 55.42 2rgr s LEU 609 Cb -0.35 -4.48 -0.17 0.00 0.03 0.00 0.00 46.19 41.22 2rgr s LEU 609 CO 0.29 -2.76 1.60 0.00 0.23 0.00 0.00 176.35 175.71 2rgr h ALA 610 N -1.63 -0.99 -0.98 4.21 0.00 -1.99 -2.22 119.26 115.65 2rgr h ALA 610 Ca -0.44 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 54.60 2rgr h ALA 610 Cb 1.26 0.52 -0.18 0.00 0.00 0.00 0.00 17.79 19.38 2rgr h ALA 610 CO 0.46 -1.08 0.21 1.04 0.00 0.00 0.00 179.25 179.88 2rgr n GLN 611 N -5.53 -0.07 -0.08 0.00 3.00 -1.26 -0.62 117.38 112.82 2rgr n GLN 611 Ca -0.13 1.43 -0.13 0.00 -0.01 0.00 0.00 57.00 58.17 2rgr n GLN 611 Cb 0.42 -2.38 -0.05 0.00 0.00 0.00 0.00 30.24 28.23 2rgr n GLN 611 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2rgr h GLU 612 N 0.00 0.55 -0.65 -1.09 5.08 -1.87 -2.73 114.58 113.87 2rgr h GLU 612 Ca 0.69 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2rgr h GLU 612 Cb 1.59 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 2rgr h GLU 612 CO -0.86 0.87 0.32 0.28 -1.00 0.00 0.00 179.01 178.61 2rgr h VAL 613 N 0.24 1.21 -0.65 3.13 2.07 -0.25 -1.46 116.25 120.53 2rgr h VAL 613 Ca 0.04 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2rgr h VAL 613 Cb 0.76 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2rgr h VAL 613 CO 0.05 0.24 0.34 0.03 0.02 0.00 0.00 177.57 178.26 2rgr h ARG 614 N 0.91 0.92 0.15 1.57 3.08 -1.20 -2.32 114.38 117.49 2rgr h ARG 614 Ca 0.23 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2rgr h ARG 614 Cb 0.08 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2rgr h ARG 614 CO -0.03 0.71 -0.34 1.49 -1.07 0.00 0.00 179.97 180.72 2rgr h GLU 615 N 0.90 -0.57 -0.64 0.04 4.81 -0.98 -0.40 114.58 117.74 2rgr h GLU 615 Ca 0.23 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.60 2rgr h GLU 615 Cb 0.07 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.46 2rgr h GLU 615 CO -0.03 -0.38 -0.37 1.88 -0.73 0.00 0.00 179.01 179.37 2rgr h TYR 616 N -0.59 -1.06 0.00 0.92 0.05 -1.12 -0.14 116.97 115.04 2rgr h TYR 616 Ca 0.02 0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 2rgr h TYR 616 Cb 0.61 0.56 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 2rgr h TYR 616 CO -0.29 -0.40 -0.33 0.74 -1.05 0.00 0.00 178.16 176.83 2rgr h PHE 617 N -0.16 0.00 0.00 4.88 -1.00 -1.13 -0.13 116.94 119.40 2rgr h PHE 617 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2rgr h PHE 617 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2rgr h PHE 617 CO -0.69 0.33 0.00 0.77 -1.61 0.00 0.00 178.31 177.11 2rgr h SER 618 N 0.00 0.00 0.00 2.17 0.02 0.72 -3.39 113.55 113.07 2rgr h SER 618 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rgr h SER 618 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2rgr h SER 618 CO 0.04 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.32 2rgr n ASN 619 N -2.43 0.00 0.00 3.07 3.02 -0.26 -4.94 115.26 113.72 2rgr n ASN 619 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2rgr n ASN 619 Cb 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2rgr n ASN 619 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2rgr n LEU 620 N -0.38 0.94 0.02 3.41 0.00 -0.22 -4.43 117.00 116.35 2rgr n LEU 620 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 2rgr n LEU 620 Cb 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 43.42 41.79 2rgr n LEU 620 CO 0.00 -0.52 -0.21 0.44 0.00 0.00 0.00 177.39 177.10 2rgr h ASP 621 N 0.00 0.00 -0.43 1.96 3.32 -1.89 -2.83 116.42 116.54 2rgr h ASP 621 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rgr h ASP 621 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2rgr h ASP 621 CO 0.00 0.93 0.00 -2.11 -1.72 0.00 0.00 179.24 176.34 2rgr n ARG 622 N -3.15 2.53 -0.01 3.56 1.85 -1.26 -3.97 116.66 116.20 2rgr n ARG 622 Ca -0.09 -2.31 0.02 0.00 -1.00 0.00 0.00 57.85 54.47 2rgr n ARG 622 Cb 0.97 -1.52 -0.05 0.00 -1.05 0.00 0.00 32.46 30.81 2rgr n ARG 622 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2rgr n HIS 623 N 1.50 0.00 -2.90 2.89 8.25 -1.25 -4.95 115.22 118.75 2rgr n HIS 623 Ca 0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.25 2rgr n HIS 623 Cb 0.60 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 2rgr n HIS 623 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2rgr s LEU 624 N -3.60 4.31 0.04 2.41 1.02 -1.07 -0.55 118.68 121.24 2rgr s LEU 624 Ca -0.03 1.36 0.07 0.00 0.02 0.00 0.00 54.13 55.55 2rgr s LEU 624 Cb 0.04 -3.28 -0.02 0.00 0.02 0.00 0.00 46.19 42.94 2rgr s LEU 624 CO 0.27 -0.21 -0.20 -0.54 0.02 0.00 0.00 176.35 175.69 2rgr s LYS 625 N 1.09 1.36 -0.07 1.70 1.02 -0.54 -4.87 119.74 119.44 2rgr s LYS 625 Ca 0.43 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 2rgr s LYS 625 Cb -0.19 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2rgr s LYS 625 CO 0.21 0.37 0.07 0.42 -0.92 0.00 0.00 175.35 175.50 2rgr s ILE 626 N -0.79 4.80 -0.21 2.17 1.01 -1.04 -1.04 121.20 126.10 2rgr s ILE 626 Ca 0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 2rgr s ILE 626 Cb -0.09 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2rgr s ILE 626 CO 0.02 0.52 0.76 -0.36 0.00 0.00 0.00 174.94 175.87 2rgr s PHE 627 N -1.04 3.36 0.49 3.97 0.40 -0.17 -1.73 117.98 123.25 2rgr s PHE 627 Ca 0.17 1.08 -0.24 0.00 -0.60 0.00 0.00 56.93 57.35 2rgr s PHE 627 Cb -0.12 -2.95 -0.07 0.00 0.51 0.00 0.00 43.02 40.39 2rgr s PHE 627 CO 0.07 -0.29 1.36 -1.58 0.70 0.00 0.00 175.22 175.48 2rgr s HIS 628 N 2.37 2.45 1.12 0.36 5.65 -1.15 -4.23 115.29 121.86 2rgr s HIS 628 Ca 0.33 1.35 -0.16 0.00 0.25 0.00 0.00 55.06 56.84 2rgr s HIS 628 Cb -0.16 -3.80 0.17 0.00 -1.18 0.00 0.00 32.58 27.61 2rgr s HIS 628 CO 0.10 -2.72 0.43 -1.13 -0.65 0.00 0.00 174.74 170.77 2rgr n SER 629 N -0.56 -2.04 -4.67 9.88 3.41 -1.26 -4.63 113.62 113.74 2rgr n SER 629 Ca 0.08 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2rgr n SER 629 Cb 0.44 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 2rgr n SER 629 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2rgr s LEU 630 N -3.55 4.37 0.40 1.04 1.02 -0.51 -4.89 118.68 116.56 2rgr s LEU 630 Ca 0.61 2.47 0.07 0.00 0.02 0.00 0.00 54.13 57.30 2rgr s LEU 630 Cb -0.18 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.42 2rgr s LEU 630 CO 0.66 -0.96 0.04 -1.10 0.02 0.00 0.00 176.35 175.00 2rgr s GLN 631 N 3.78 2.01 0.04 1.70 -0.21 -1.26 -4.93 119.66 120.79 2rgr s GLN 631 Ca 0.79 -2.01 -0.37 0.00 0.02 0.00 0.00 55.36 53.78 2rgr s GLN 631 Cb -0.39 -1.74 -0.17 0.00 1.00 0.00 0.00 33.01 31.71 2rgr s GLN 631 CO 0.35 -0.04 1.36 0.41 -2.12 0.00 0.00 175.29 175.25 2rgr n GLY 632 N -1.01 0.46 2.58 3.09 0.00 -1.26 -0.63 105.19 108.43 2rgr n GLY 632 Ca -0.04 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2rgr n GLY 632 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rgr n ASN 633 N 2.74 0.00 0.34 1.61 4.13 -1.26 -4.89 115.26 117.94 2rgr n ASN 633 Ca 0.19 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.29 2rgr n ASN 633 Cb 0.18 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.34 2rgr n ASN 633 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2rgr h ASP 634 N 0.00 -0.75 -0.89 6.41 3.32 -1.27 -2.42 116.42 120.82 2rgr h ASP 634 Ca 0.00 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.21 2rgr h ASP 634 Cb 0.00 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 2rgr h ASP 634 CO 0.00 -0.42 0.58 0.11 -1.72 0.00 0.00 179.24 177.79 2rgr h LYS 635 N -1.09 0.50 0.11 3.56 1.57 -1.91 -2.28 116.57 117.04 2rgr h LYS 635 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2rgr h LYS 635 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2rgr h LYS 635 CO 0.15 0.33 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.87 2rgr h ASP 636 N 0.52 -0.13 -0.66 0.86 3.32 -1.91 -3.04 116.42 115.38 2rgr h ASP 636 Ca 0.46 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 57.24 2rgr h ASP 636 Cb 0.97 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 2rgr h ASP 636 CO -0.19 0.29 0.34 1.88 -1.72 0.00 0.00 179.24 179.84 2rgr h TYR 637 N -0.57 0.63 -0.95 4.55 -1.99 -0.90 0.56 116.97 118.30 2rgr h TYR 637 Ca -0.02 0.03 0.12 0.00 2.00 0.00 0.00 58.73 60.86 2rgr h TYR 637 Cb 0.46 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 38.92 2rgr h TYR 637 CO 0.06 0.27 0.58 0.82 -0.00 0.00 0.00 178.16 179.89 2rgr h ILE 638 N 0.62 0.89 -0.19 -2.88 2.04 -1.49 -1.03 117.51 115.47 2rgr h ILE 638 Ca 0.31 -0.31 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 2rgr h ILE 638 Cb 0.24 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2rgr h ILE 638 CO -0.21 0.16 -0.69 -0.78 0.00 0.00 0.00 178.15 176.63 2rgr h ASP 639 N 0.90 0.93 0.00 1.72 3.58 -1.09 -1.01 116.42 121.45 2rgr h ASP 639 Ca 0.48 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2rgr h ASP 639 Cb 0.50 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2rgr h ASP 639 CO -0.28 1.38 0.00 -0.11 -2.88 0.00 0.00 179.24 177.35 2rgr n LEU 640 N -3.99 2.11 0.14 2.28 0.00 0.18 -1.85 117.00 115.88 2rgr n LEU 640 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 56.01 54.89 2rgr n LEU 640 Cb 0.70 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.65 2rgr n LEU 640 CO 0.52 0.38 0.00 0.00 0.00 0.00 0.00 177.39 178.29 2rgr n ALA 641 N 0.33 2.94 1.10 1.96 0.00 -0.83 -4.71 120.51 121.30 2rgr n ALA 641 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2rgr n ALA 641 Cb 0.38 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.14 2rgr n ALA 641 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rgr n PHE 642 N -3.40 0.00 -2.29 0.00 3.01 -0.39 -4.93 117.46 109.47 2rgr n PHE 642 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2rgr n PHE 642 Cb 0.00 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.24 2rgr n PHE 642 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2rgr s SER 643 N -2.79 6.92 0.22 4.37 0.15 -0.77 -4.69 113.70 117.12 2rgr s SER 643 Ca 0.17 2.10 0.20 0.00 0.70 0.00 0.00 55.95 59.11 2rgr s SER 643 Cb 0.18 -2.57 0.91 0.00 -1.71 0.00 0.00 66.02 62.83 2rgr s SER 643 CO 0.62 -0.63 1.61 0.29 1.20 0.00 0.00 173.24 176.33 2rgr n LYS 644 N 4.72 0.14 0.00 5.44 5.02 -1.25 -1.85 118.16 130.38 2rgr n LYS 644 Ca 0.12 0.47 0.14 0.00 -2.02 0.00 0.00 58.31 57.02 2rgr n LYS 644 Cb 0.44 -1.82 0.65 0.00 -0.02 0.00 0.00 35.03 34.28 2rgr n LYS 644 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rgr n LYS 645 N -2.09 0.86 -1.59 1.97 5.02 -1.26 -4.40 118.16 116.67 2rgr n LYS 645 Ca 0.01 -0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 55.90 2rgr n LYS 645 Cb 0.15 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.75 2rgr n LYS 645 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rgr n LYS 646 N -0.81 2.57 -0.08 1.97 5.02 -0.77 -4.79 118.16 121.27 2rgr n LYS 646 Ca 0.16 -3.70 -0.00 0.00 -2.02 0.00 0.00 58.31 52.75 2rgr n LYS 646 Cb 0.26 -1.87 0.28 0.00 -0.02 0.00 0.00 35.03 33.68 2rgr n LYS 646 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rgr h ALA 647 N 1.76 1.40 -0.49 7.82 0.00 -1.78 -2.25 119.26 125.72 2rgr h ALA 647 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2rgr h ALA 647 Cb 1.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2rgr h ALA 647 CO 0.42 0.45 -0.08 -0.44 0.00 0.00 0.00 179.25 179.61 2rgr h ASP 648 N 0.71 0.91 -0.45 0.00 3.32 -1.86 -2.67 116.42 116.38 2rgr h ASP 648 Ca 0.17 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 2rgr h ASP 648 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2rgr h ASP 648 CO -0.01 1.04 -0.08 0.44 -1.72 0.00 0.00 179.24 178.90 2rgr h ASP 649 N 0.76 0.90 -0.07 6.45 3.32 -1.88 -2.17 116.42 123.72 2rgr h ASP 649 Ca 0.13 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2rgr h ASP 649 Cb 0.62 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2rgr h ASP 649 CO 0.04 1.00 0.05 0.03 -1.72 0.00 0.00 179.24 178.64 2rgr h ARG 650 N 0.82 0.07 -0.76 3.56 3.08 -1.27 0.26 114.38 120.13 2rgr h ARG 650 Ca 0.14 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2rgr h ARG 650 Cb 0.60 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 2rgr h ARG 650 CO 0.04 0.05 0.42 0.87 -1.07 0.00 0.00 179.97 180.27 2rgr h LYS 651 N 0.07 1.06 0.20 0.04 1.57 -1.04 -2.04 116.57 116.43 2rgr h LYS 651 Ca 0.03 -0.12 -0.30 0.00 -1.87 0.00 0.00 60.65 58.39 2rgr h LYS 651 Cb 0.04 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.16 2rgr h LYS 651 CO -0.00 0.78 -1.39 1.49 -0.57 0.00 0.00 179.45 179.75 2rgr h GLU 652 N 1.07 0.42 -0.94 3.15 4.57 -1.06 -2.63 114.58 119.15 2rgr h GLU 652 Ca 0.27 -0.72 0.24 0.00 -1.18 0.00 0.00 59.36 57.97 2rgr h GLU 652 Cb 0.03 0.27 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 2rgr h GLU 652 CO -0.04 1.34 0.64 2.35 -1.18 0.00 0.00 179.01 182.12 2rgr h TRP 653 N -0.04 0.35 0.22 0.92 7.01 -0.53 0.38 115.95 124.27 2rgr h TRP 653 Ca -0.26 0.01 -0.35 0.00 2.11 0.00 0.00 58.89 60.41 2rgr h TRP 653 Cb 1.99 -0.11 0.02 0.00 -2.10 0.00 0.00 29.16 28.96 2rgr h TRP 653 CO 0.14 0.07 -1.64 -0.07 -2.79 0.00 0.00 178.44 174.15 2rgr h LEU 654 N 0.25 0.72 -0.47 0.65 3.38 -1.42 -2.98 115.31 115.44 2rgr h LEU 654 Ca 0.48 -0.92 0.10 0.00 0.09 0.00 0.00 57.88 57.63 2rgr h LEU 654 Cb 1.47 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 2rgr h LEU 654 CO -0.13 1.75 -0.16 0.03 0.09 0.00 0.00 178.44 180.02 2rgr h ARG 655 N 0.13 -0.06 -0.52 1.13 3.08 -0.88 -2.83 114.38 114.43 2rgr h ARG 655 Ca -0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 2rgr h ARG 655 Cb 2.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.17 2rgr h ARG 655 CO 0.22 -0.04 0.16 1.96 -1.07 0.00 0.00 179.97 181.21 2rgr h GLN 656 N -0.06 0.78 -6.26 0.04 1.08 -0.34 -3.44 115.11 106.91 2rgr h GLN 656 Ca 0.22 -0.14 -0.68 0.00 -1.45 0.00 0.00 58.65 56.61 2rgr h GLN 656 Cb 0.40 -0.13 0.06 0.00 -0.05 0.00 0.00 27.48 27.77 2rgr h GLN 656 CO -0.51 0.68 0.34 0.98 -0.95 0.00 0.00 178.83 179.37 2rgr n TYR 657 N -4.31 1.32 -3.73 2.96 9.36 -1.07 -4.91 117.16 116.80 2rgr n TYR 657 Ca 0.04 0.70 -0.37 0.00 3.32 0.00 0.00 57.90 61.58 2rgr n TYR 657 Cb 0.19 -2.29 -0.12 0.00 -0.63 0.00 0.00 39.34 36.50 2rgr n TYR 657 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2rgr s GLU 658 N 0.14 3.50 0.35 2.98 2.12 -1.26 -5.05 118.70 121.49 2rgr s GLU 658 Ca 0.81 -0.59 -0.24 0.00 0.36 0.00 0.00 54.97 55.31 2rgr s GLU 658 Cb -0.95 -3.40 -0.14 0.00 0.26 0.00 0.00 34.13 29.90 2rgr s GLU 658 CO 0.50 -0.28 0.55 -2.30 -0.54 0.00 0.00 175.26 173.19 2rgr n PRO 659 N 4.93 0.50 -0.41 4.30 -0.02 -1.26 -2.38 135.00 140.66 2rgr n PRO 659 Ca -0.15 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2rgr n PRO 659 Cb 0.50 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2rgr n PRO 659 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rgr n GLY 660 N 1.81 1.24 3.50 -1.23 0.00 -1.26 -4.97 105.19 104.27 2rgr n GLY 660 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2rgr n GLY 660 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rgr s THR 661 N -3.06 4.41 0.30 2.61 2.01 -1.00 -4.94 115.64 115.96 2rgr s THR 661 Ca 0.00 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.65 2rgr s THR 661 Cb 0.00 -4.92 0.01 0.00 0.01 0.00 0.00 72.50 67.61 2rgr s THR 661 CO 0.00 -1.71 0.12 0.55 -0.69 0.00 0.00 174.62 172.90 2rgr n VAL 662 N 6.01 0.00 -3.96 3.82 3.14 -1.26 -4.75 118.33 121.32 2rgr n VAL 662 Ca 0.30 -1.28 -0.30 0.00 -2.96 0.00 0.00 64.34 60.10 2rgr n VAL 662 Cb 0.49 -0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.22 2rgr n VAL 662 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2rgr s LEU 663 N 0.00 4.19 0.34 6.55 2.96 -1.26 -5.00 118.68 126.46 2rgr s LEU 663 Ca 0.09 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 2rgr s LEU 663 Cb -0.01 -2.81 -0.11 0.00 0.50 0.00 0.00 46.19 43.77 2rgr s LEU 663 CO 0.06 0.15 1.44 -0.62 -1.32 0.00 0.00 176.35 176.06 2rgr s ASP 664 N -2.57 6.51 0.01 3.68 2.15 -1.26 -4.94 116.67 120.25 2rgr s ASP 664 Ca 0.33 2.88 -0.25 0.00 0.43 0.00 0.00 52.55 55.95 2rgr s ASP 664 Cb -0.12 -2.65 -0.19 0.00 -0.30 0.00 0.00 42.92 39.66 2rgr s ASP 664 CO 0.26 -0.75 1.40 -0.65 -0.17 0.00 0.00 175.17 175.26 2rgr h PRO 665 N 3.59 -0.04 -4.55 4.34 0.11 -1.98 -3.39 132.00 130.08 2rgr h PRO 665 Ca -0.49 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 2rgr h PRO 665 Cb 1.23 0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.96 2rgr h PRO 665 CO 0.68 0.30 -0.75 0.95 -0.21 0.00 0.00 178.00 178.97 2rgr s THR 666 N -4.84 1.98 0.00 -1.15 -4.23 -1.26 -4.86 115.64 101.28 2rgr s THR 666 Ca -0.15 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2rgr s THR 666 Cb 0.03 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2rgr s THR 666 CO 0.66 -0.39 0.00 0.18 -0.54 0.00 0.00 174.62 174.53 2rgr n LEU 667 N 4.43 1.96 0.00 4.79 7.99 -1.26 -5.04 117.00 129.86 2rgr n LEU 667 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2rgr n LEU 667 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2rgr n LEU 667 CO 0.20 0.33 0.00 1.17 -1.51 0.00 0.00 177.39 177.58 2rgr n LYS 668 N -2.15 0.00 -3.87 3.23 3.00 -1.26 -4.93 118.16 112.18 2rgr n LYS 668 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2rgr n LYS 668 Cb 0.33 -2.13 -0.13 0.00 0.00 0.00 0.00 35.03 33.09 2rgr n LYS 668 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2rgr s GLU 669 N -0.03 0.08 -0.22 1.64 2.02 -1.26 -2.49 118.70 118.43 2rgr s GLU 669 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.95 2rgr s GLU 669 Cb 0.00 0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.35 2rgr s GLU 669 CO 0.00 -0.01 0.16 0.42 0.02 0.00 0.00 175.26 175.85 2rgr s ILE 670 N -0.12 -0.20 0.22 -1.63 1.01 -0.71 -4.92 121.20 114.86 2rgr s ILE 670 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2rgr s ILE 670 Cb -0.01 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 2rgr s ILE 670 CO 0.00 -0.38 1.39 -2.16 0.00 0.00 0.00 174.94 173.79 2rgr s PRO 671 N 2.22 4.31 0.16 2.79 0.04 -1.26 -2.93 135.00 140.33 2rgr s PRO 671 Ca 0.06 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 2rgr s PRO 671 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2rgr s PRO 671 CO -0.19 -0.36 1.55 0.82 0.04 0.00 0.00 177.00 178.86 2rgr h ILE 672 N 3.65 0.03 0.00 0.56 2.04 -1.90 -2.29 117.51 119.60 2rgr h ILE 672 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2rgr h ILE 672 Cb 1.22 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2rgr h ILE 672 CO 0.78 0.00 0.58 0.28 0.00 0.00 0.00 178.15 179.79 2rgr h SER 673 N -0.20 0.00 0.00 1.72 0.02 -1.89 3.83 113.55 117.03 2rgr h SER 673 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2rgr h SER 673 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2rgr h SER 673 CO -0.76 0.00 -0.19 -0.90 -1.14 0.00 0.00 176.83 173.85 2rgr n ASP 674 N -2.17 1.41 0.22 3.07 5.75 -0.96 -3.21 116.55 120.67 2rgr n ASP 674 Ca -0.01 -2.59 -0.10 0.00 -0.01 0.00 0.00 54.79 52.08 2rgr n ASP 674 Cb 0.59 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 2rgr n ASP 674 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2rgr h PHE 675 N 0.00 -0.58 -0.22 2.11 3.04 0.77 -2.55 116.94 119.52 2rgr h PHE 675 Ca 0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.99 2rgr h PHE 675 Cb 1.13 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.77 2rgr h PHE 675 CO 0.04 -0.36 -0.23 0.82 -2.02 0.00 0.00 178.31 176.55 2rgr h ILE 676 N -1.11 0.42 -0.16 1.41 2.04 -1.16 1.08 117.51 120.02 2rgr h ILE 676 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2rgr h ILE 676 Cb 0.48 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2rgr h ILE 676 CO 0.11 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.85 2rgr n ASN 677 N -5.37 1.27 0.00 1.72 3.02 -1.20 -2.44 115.26 112.26 2rgr n ASN 677 Ca -0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 2rgr n ASN 677 Cb 0.28 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2rgr n ASN 677 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2rgr n LYS 678 N 0.09 0.44 0.00 3.52 5.02 -0.96 -4.86 118.16 121.42 2rgr n LYS 678 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2rgr n LYS 678 Cb 0.25 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2rgr n LYS 678 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2rgr n GLU 679 N -0.04 2.89 -0.04 1.97 2.13 0.36 -4.19 120.64 123.72 2rgr n GLU 679 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2rgr n GLU 679 Cb 0.00 -0.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.87 2rgr n GLU 679 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2rgr h LEU 680 N 0.00 0.19 -2.19 4.31 5.85 -1.19 -3.30 115.31 118.98 2rgr h LEU 680 Ca 0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.97 2rgr h LEU 680 Cb 0.14 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2rgr h LEU 680 CO 0.00 1.52 0.25 0.40 -0.34 0.00 0.00 178.44 180.27 2rgr h ILE 681 N -0.62 0.00 -0.21 4.05 2.04 -1.74 0.14 117.51 121.18 2rgr h ILE 681 Ca -0.30 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.40 2rgr h ILE 681 Cb 1.52 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2rgr h ILE 681 CO -0.05 0.00 -0.50 -0.07 0.00 0.00 0.00 178.15 177.53 2rgr h LEU 682 N 0.00 0.80 -0.39 1.44 3.38 -1.85 0.10 115.31 118.80 2rgr h LEU 682 Ca 0.00 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.23 2rgr h LEU 682 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2rgr h LEU 682 CO 0.00 1.22 -0.55 0.15 0.09 0.00 0.00 178.44 179.35 2rgr h PHE 683 N 0.42 0.93 -0.81 1.13 3.04 -0.95 -2.09 116.94 118.62 2rgr h PHE 683 Ca -0.00 -0.33 -0.04 0.00 3.98 0.00 0.00 57.97 61.57 2rgr h PHE 683 Cb 1.11 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.41 2rgr h PHE 683 CO 0.09 1.12 0.35 0.77 -2.02 0.00 0.00 178.31 178.62 2rgr h SER 684 N 0.57 1.10 -0.67 0.41 0.02 -0.85 1.27 113.55 115.40 2rgr h SER 684 Ca 0.01 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2rgr h SER 684 Cb 1.13 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2rgr h SER 684 CO 0.11 0.95 0.10 -0.07 -1.14 0.00 0.00 176.83 176.79 2rgr h LEU 685 N 1.18 1.07 -0.14 5.07 3.38 -0.79 -2.72 115.31 122.37 2rgr h LEU 685 Ca 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2rgr h LEU 685 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2rgr h LEU 685 CO -0.03 1.06 -0.04 0.00 0.09 0.00 0.00 178.44 179.53 2rgr h ALA 686 N 1.06 0.19 -0.60 1.53 0.00 -0.59 -2.77 119.26 118.07 2rgr h ALA 686 Ca 0.20 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2rgr h ALA 686 Cb 0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 2rgr h ALA 686 CO 0.01 -0.06 -0.05 0.22 0.00 0.00 0.00 179.25 179.38 2rgr h ASP 687 N -0.04 -0.37 -0.72 0.00 3.58 0.16 -1.35 116.42 117.68 2rgr h ASP 687 Ca 0.03 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 2rgr h ASP 687 Cb 0.47 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 2rgr h ASP 687 CO 0.01 -0.14 0.36 0.78 -2.88 0.00 0.00 179.24 177.37 2rgr h ASN 688 N 0.07 0.95 -0.03 2.28 2.35 -1.45 -1.47 115.58 118.28 2rgr h ASN 688 Ca 0.31 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2rgr h ASN 688 Cb 0.49 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2rgr h ASN 688 CO -0.55 0.80 -0.21 0.40 -1.65 0.00 0.00 177.43 176.22 2rgr h ILE 689 N 1.05 1.25 0.00 2.81 2.04 -0.96 0.36 117.51 124.05 2rgr h ILE 689 Ca 0.26 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2rgr h ILE 689 Cb 0.10 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2rgr h ILE 689 CO -0.03 0.36 -1.04 -2.11 0.00 0.00 0.00 178.15 175.33 2rgr n ARG 690 N -4.16 0.44 -0.05 2.37 1.85 -0.99 -4.30 116.66 111.83 2rgr n ARG 690 Ca -0.00 0.04 -0.19 0.00 -1.00 0.00 0.00 57.85 56.70 2rgr n ARG 690 Cb 0.37 -1.69 -0.13 0.00 -1.05 0.00 0.00 32.46 29.95 2rgr n ARG 690 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2rgr n SER 691 N -2.29 1.93 -4.79 2.89 7.64 -0.56 -4.80 113.62 113.64 2rgr n SER 691 Ca 0.01 0.07 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 2rgr n SER 691 Cb 0.49 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 2rgr n SER 691 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2rgr s ILE 692 N -2.54 5.06 0.77 0.44 1.01 0.12 -4.47 121.20 121.58 2rgr s ILE 692 Ca -0.26 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 2rgr s ILE 692 Cb 0.08 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.41 2rgr s ILE 692 CO 0.71 0.60 1.12 -2.16 0.00 0.00 0.00 174.94 175.21 2rgr s PRO 693 N -0.86 2.31 -0.02 2.79 0.04 -1.26 -4.70 135.00 133.30 2rgr s PRO 693 Ca 0.13 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.38 2rgr s PRO 693 Cb -0.12 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2rgr s PRO 693 CO 0.03 -1.40 0.49 1.21 0.04 0.00 0.00 177.00 177.36 2rgr s ASN 694 N -4.31 6.85 0.61 6.66 3.84 -0.68 -1.40 114.94 126.50 2rgr s ASN 694 Ca 0.60 1.01 0.31 0.00 0.21 0.00 0.00 52.86 55.00 2rgr s ASN 694 Cb -0.12 -2.30 1.79 0.00 -0.55 0.00 0.00 41.25 40.07 2rgr s ASN 694 CO 0.52 0.20 2.15 1.62 -2.79 0.00 0.00 177.10 178.79 2rgr h VAL 695 N 4.01 0.37 0.15 -5.21 3.04 -1.28 -1.11 116.25 116.22 2rgr h VAL 695 Ca -0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2rgr h VAL 695 Cb 1.20 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2rgr h VAL 695 CO 0.67 0.00 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.09 2rgr h LEU 696 N 0.00 -0.17 0.00 3.16 4.07 -1.89 -3.40 115.31 117.09 2rgr h LEU 696 Ca 0.05 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2rgr h LEU 696 Cb 0.36 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2rgr h LEU 696 CO -0.00 0.42 -0.84 -0.90 -1.08 0.00 0.00 178.44 176.03 2rgr n ASP 697 N -4.89 0.80 0.00 -0.43 5.68 -1.20 -4.45 116.55 112.06 2rgr n ASP 697 Ca -0.06 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 2rgr n ASP 697 Cb 0.23 1.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.26 2rgr n ASP 697 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rgr n GLY 698 N 1.40 0.99 3.90 6.12 0.00 -0.42 -4.25 105.19 112.93 2rgr n GLY 698 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2rgr n GLY 698 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rgr s PHE 699 N -3.89 3.51 0.12 1.61 0.08 -1.26 -4.73 117.98 113.42 2rgr s PHE 699 Ca 0.00 0.80 0.03 0.00 0.12 0.00 0.00 56.93 57.88 2rgr s PHE 699 Cb 0.00 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 2rgr s PHE 699 CO 0.00 -0.07 0.17 0.15 -0.10 0.00 0.00 175.22 175.37 2rgr s LYS 700 N -4.12 3.13 0.39 0.44 1.02 -1.26 -1.69 119.74 117.65 2rgr s LYS 700 Ca 0.47 -0.68 0.22 0.00 0.02 0.00 0.00 55.97 56.00 2rgr s LYS 700 Cb -0.10 -2.82 1.27 0.00 -0.52 0.00 0.00 37.83 35.66 2rgr s LYS 700 CO 0.36 0.54 1.64 -1.00 -0.92 0.00 0.00 175.35 175.96 2rgr h PRO 701 N 2.67 0.17 0.00 -1.68 0.13 -1.87 -0.84 132.00 130.58 2rgr h PRO 701 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rgr h PRO 701 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2rgr h PRO 701 CO 0.67 0.11 -0.00 0.78 -0.23 0.00 0.00 178.00 179.34 2rgr h GLY 702 N 0.17 -0.00 0.87 1.56 0.00 -1.93 -1.85 103.07 101.90 2rgr h GLY 702 Ca 0.78 0.00 0.02 0.00 0.00 0.00 0.00 47.33 48.13 2rgr h GLY 702 CO -0.54 -0.00 0.09 1.46 0.00 0.00 0.00 176.54 177.54 2rgr h GLN 703 N -0.35 0.19 -0.36 4.80 4.20 -1.60 -2.47 115.11 119.52 2rgr h GLN 703 Ca -0.00 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.80 2rgr h GLN 703 Cb 0.35 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2rgr h GLN 703 CO 0.00 0.12 0.30 -0.09 -0.67 0.00 0.00 178.83 178.50 2rgr h ARG 704 N 0.19 0.00 -0.05 1.46 2.43 -1.14 -1.46 114.38 115.81 2rgr h ARG 704 Ca 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2rgr h ARG 704 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2rgr h ARG 704 CO -0.07 0.00 -0.08 0.87 -1.51 0.00 0.00 179.97 179.17 2rgr h LYS 705 N 0.00 0.15 -0.73 0.20 1.57 -0.88 -2.82 116.57 114.07 2rgr h LYS 705 Ca 0.17 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 2rgr h LYS 705 Cb 0.77 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.00 2rgr h LYS 705 CO -0.00 0.65 0.30 0.28 -0.57 0.00 0.00 179.45 180.10 2rgr h VAL 706 N -0.33 0.70 -0.07 0.50 2.07 -1.02 -0.25 116.25 117.84 2rgr h VAL 706 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2rgr h VAL 706 Cb 0.63 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2rgr h VAL 706 CO 0.02 0.08 0.00 0.25 0.02 0.00 0.00 177.57 177.95 2rgr h LEU 707 N 0.46 0.12 -0.59 2.57 5.85 -1.44 -2.54 115.31 119.74 2rgr h LEU 707 Ca 0.39 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.92 2rgr h LEU 707 Cb 0.55 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 2rgr h LEU 707 CO -0.37 0.39 0.10 0.22 -0.34 0.00 0.00 178.44 178.43 2rgr h TYR 708 N -0.15 0.14 -0.65 1.25 3.20 -1.18 -1.33 116.97 118.24 2rgr h TYR 708 Ca 0.02 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 2rgr h TYR 708 Cb 0.32 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2rgr h TYR 708 CO 0.03 -0.06 0.36 0.78 -1.64 0.00 0.00 178.16 177.63 2rgr h GLY 709 N 0.22 0.96 1.00 1.82 0.00 -0.94 0.26 103.07 106.40 2rgr h GLY 709 Ca 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2rgr h GLY 709 CO -0.42 0.14 0.33 0.00 0.00 0.00 0.00 176.54 176.60 2rgr h PHE 711 N 0.90 0.93 0.32 0.00 0.04 -0.46 -3.13 116.94 115.54 2rgr h PHE 711 Ca 0.23 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2rgr h PHE 711 Cb 0.09 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2rgr h PHE 711 CO -0.00 0.81 -0.15 -0.22 -0.60 0.00 0.00 178.31 178.15 2rgr h LYS 712 N 0.83 -0.41 0.00 1.51 3.64 0.00 -3.42 116.57 118.72 2rgr h LYS 712 Ca 0.17 0.03 -0.43 0.00 -1.27 0.00 0.00 60.65 59.15 2rgr h LYS 712 Cb 0.40 0.09 0.14 0.00 -0.41 0.00 0.00 32.23 32.46 2rgr h LYS 712 CO 0.01 -0.26 0.31 1.63 -2.27 0.00 0.00 179.45 178.87 2rgr n LYS 713 N -5.26 -0.88 -3.67 1.90 5.02 -0.81 -5.04 118.16 109.41 2rgr n LYS 713 Ca -0.10 -2.23 -0.36 0.00 -2.02 0.00 0.00 58.31 53.60 2rgr n LYS 713 Cb 0.19 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 2rgr n LYS 713 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2rgr s ASN 714 N -5.50 5.67 0.00 4.39 0.01 -1.26 -4.79 114.94 113.46 2rgr s ASN 714 Ca 0.71 -3.34 -0.03 0.00 -0.71 0.00 0.00 52.86 49.48 2rgr s ASN 714 Cb -0.02 -1.89 -0.14 0.00 0.41 0.00 0.00 41.25 39.61 2rgr s ASN 714 CO 0.49 -0.27 2.41 0.18 -1.51 0.00 0.00 177.10 178.40 2rgr n LEU 715 N 2.84 3.89 0.13 0.60 4.32 -1.25 -3.84 117.00 123.69 2rgr n LEU 715 Ca 0.16 -2.27 0.12 0.00 -0.02 0.00 0.00 56.01 54.00 2rgr n LEU 715 Cb 0.38 -0.98 0.24 0.00 -1.62 0.00 0.00 43.42 41.43 2rgr n LEU 715 CO 0.35 1.01 0.65 0.11 -1.22 0.00 0.00 177.39 178.28 2rgr h LYS 716 N 3.18 0.00 -4.15 3.23 1.57 -1.93 -0.06 116.57 118.41 2rgr h LYS 716 Ca 0.10 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.53 2rgr h LYS 716 Cb 1.01 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.01 2rgr h LYS 716 CO 0.21 0.00 -0.76 -1.54 -0.57 0.00 0.00 179.45 176.79 2rgr s SER 717 N -5.03 0.65 0.70 0.86 1.04 -1.25 -4.93 113.70 105.73 2rgr s SER 717 Ca 0.07 -0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 2rgr s SER 717 Cb 0.10 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2rgr s SER 717 CO 0.67 0.01 1.13 -1.83 0.98 0.00 0.00 173.24 174.20 2rgr s GLU 718 N 0.29 2.50 0.01 4.02 -1.05 -1.26 -4.91 118.70 118.30 2rgr s GLU 718 Ca -0.03 1.46 -0.17 0.00 -0.15 0.00 0.00 54.97 56.07 2rgr s GLU 718 Cb -0.07 -1.91 0.03 0.00 -0.44 0.00 0.00 34.13 31.75 2rgr s GLU 718 CO -0.00 -1.49 0.38 -0.48 0.95 0.00 0.00 175.26 174.61 2rgr s LEU 719 N -5.13 0.56 0.30 1.83 2.34 -0.76 -4.96 118.68 112.86 2rgr s LEU 719 Ca 0.68 0.09 -0.29 0.00 0.06 0.00 0.00 54.13 54.66 2rgr s LEU 719 Cb -0.22 1.56 -0.12 0.00 -0.56 0.00 0.00 46.19 46.85 2rgr s LEU 719 CO 0.45 -0.56 1.43 0.29 -1.06 0.00 0.00 176.35 176.90 2rgr n LYS 720 N 0.89 2.32 0.25 1.48 5.02 -1.26 -2.27 118.16 124.60 2rgr n LYS 720 Ca -0.20 0.82 0.17 0.00 -2.02 0.00 0.00 58.31 57.08 2rgr n LYS 720 Cb 0.58 -2.50 0.86 0.00 -0.02 0.00 0.00 35.03 33.95 2rgr n LYS 720 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2rgr h VAL 721 N 2.96 0.00 0.00 -0.18 -1.51 -1.18 0.24 116.25 116.58 2rgr h VAL 721 Ca -0.47 -0.06 -0.07 0.00 -1.23 0.00 0.00 66.70 64.87 2rgr h VAL 721 Cb 1.26 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2rgr h VAL 721 CO 0.71 0.00 -0.36 0.00 -1.23 0.00 0.00 177.57 176.69 2rgr h ALA 722 N 2.02 0.98 0.03 5.19 0.00 -1.68 -0.14 119.26 125.66 2rgr h ALA 722 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 2rgr h ALA 722 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2rgr h ALA 722 CO 0.00 0.45 -1.71 1.96 0.00 0.00 0.00 179.25 179.95 2rgr h GLN 723 N 0.00 0.07 0.00 0.00 4.20 -0.88 -3.33 115.11 115.17 2rgr h GLN 723 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2rgr h GLN 723 Cb 0.90 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2rgr h GLN 723 CO 0.05 0.70 0.00 1.25 -0.67 0.00 0.00 178.83 180.15 2rgr h LEU 724 N 0.02 0.00 0.49 1.46 5.85 -1.15 -3.25 115.31 118.73 2rgr h LEU 724 Ca -0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2rgr h LEU 724 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.04 2rgr h LEU 724 CO 0.09 0.00 -0.24 0.00 -0.34 0.00 0.00 178.44 177.95 2rgr h ALA 725 N 2.14 -0.83 -0.27 1.25 0.00 -1.13 -2.39 119.26 118.02 2rgr h ALA 725 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2rgr h ALA 725 Cb 0.66 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2rgr h ALA 725 CO 0.00 -0.78 0.24 -1.00 0.00 0.00 0.00 179.25 177.71 2rgr h PRO 726 N -0.92 0.00 0.37 0.00 0.13 -1.72 -0.67 132.00 129.18 2rgr h PRO 726 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2rgr h PRO 726 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2rgr h PRO 726 CO 0.11 0.00 -0.18 -0.92 -0.23 0.00 0.00 178.00 176.79 2rgr h TYR 727 N 0.00 -0.46 -0.48 1.56 3.20 -1.59 -0.29 116.97 118.91 2rgr h TYR 727 Ca 0.13 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.09 2rgr h TYR 727 Cb 0.60 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 2rgr h TYR 727 CO 0.00 -0.28 -0.14 0.28 -1.64 0.00 0.00 178.16 176.37 2rgr h VAL 728 N -0.92 0.48 -0.06 1.81 2.07 -1.24 -1.49 116.25 116.91 2rgr h VAL 728 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2rgr h VAL 728 Cb 0.38 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2rgr h VAL 728 CO 0.08 0.00 -0.45 -1.28 0.02 0.00 0.00 177.57 175.94 2rgr h SER 729 N -0.03 -1.41 -0.63 0.57 0.87 -1.21 -1.70 113.55 110.01 2rgr h SER 729 Ca 0.23 0.16 0.06 0.00 -1.23 0.00 0.00 61.79 61.02 2rgr h SER 729 Cb 0.38 0.54 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 2rgr h SER 729 CO -0.51 -0.42 0.34 -0.08 -0.53 0.00 0.00 176.83 175.62 2rgr h GLU 730 N -0.52 0.60 -0.72 2.24 4.22 -0.55 -2.66 114.58 117.19 2rgr h GLU 730 Ca 0.02 -0.04 -0.23 0.00 0.08 0.00 0.00 59.36 59.19 2rgr h GLU 730 Cb 0.58 -0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.56 2rgr h GLU 730 CO -0.33 0.40 0.27 0.00 -2.18 0.00 0.00 179.01 177.17 2rgr n THR 732 N -0.31 0.28 -3.67 0.00 -2.24 -0.65 -4.85 114.28 102.84 2rgr n THR 732 Ca 0.41 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 2rgr n THR 732 Cb 1.37 0.58 0.04 0.00 -2.10 0.00 0.00 70.33 70.22 2rgr n THR 732 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rgr n ALA 733 N -0.19 -1.98 -1.95 6.98 0.00 -1.07 -4.88 120.51 117.41 2rgr n ALA 733 Ca 0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2rgr n ALA 733 Cb 0.60 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 2rgr n ALA 733 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2rgr s TYR 734 N -3.61 3.49 -0.96 0.00 5.04 -1.03 -4.95 117.35 115.33 2rgr s TYR 734 Ca 0.03 1.55 0.10 0.00 -2.44 0.00 0.00 57.07 56.31 2rgr s TYR 734 Cb -0.02 -3.36 0.26 0.00 0.35 0.00 0.00 41.96 39.19 2rgr s TYR 734 CO 0.80 -0.90 1.17 0.72 -1.34 0.00 0.00 175.55 176.00 2rgr n HIS 735 N 1.99 0.37 -4.05 4.97 8.25 -1.26 -4.96 115.22 120.53 2rgr n HIS 735 Ca 0.02 -0.41 -0.14 0.00 -0.26 0.00 0.00 57.72 56.93 2rgr n HIS 735 Cb 0.45 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 2rgr n HIS 735 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rgr n HIS 736 N 0.49 -0.18 -0.62 4.41 8.25 -1.26 -5.12 115.22 121.19 2rgr n HIS 736 Ca 0.10 -1.12 -0.30 0.00 -0.26 0.00 0.00 57.72 56.14 2rgr n HIS 736 Cb 0.39 -0.18 0.19 0.00 1.12 0.00 0.00 29.99 31.52 2rgr n HIS 736 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rgr n GLY 737 N 2.09 -1.18 0.09 -1.41 0.00 -1.26 -4.84 105.19 98.68 2rgr n GLY 737 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 2rgr n GLY 737 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2rgr h GLU 738 N -2.12 0.00 -0.72 1.61 -0.00 -1.98 -1.20 114.58 110.17 2rgr h GLU 738 Ca -0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.80 2rgr h GLU 738 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.02 2rgr h GLU 738 CO 0.43 0.85 0.19 0.37 -0.00 0.00 0.00 179.01 180.84 2rgr h GLN 739 N 0.00 1.14 -0.22 1.06 -0.00 -1.99 0.46 115.11 115.57 2rgr h GLN 739 Ca -0.01 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 2rgr h GLN 739 Cb 1.50 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.81 2rgr h GLN 739 CO 0.11 0.99 0.03 1.03 0.00 0.00 0.00 178.83 180.99 2rgr h SER 740 N 1.08 0.35 -0.40 -0.69 0.87 -1.89 -2.42 113.55 110.45 2rgr h SER 740 Ca 0.23 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2rgr h SER 740 Cb 0.35 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2rgr h SER 740 CO -0.00 0.52 0.24 0.25 -0.53 0.00 0.00 176.83 177.31 2rgr h LEU 741 N 0.16 0.39 -0.39 2.23 5.85 -0.81 -3.10 115.31 119.64 2rgr h LEU 741 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2rgr h LEU 741 Cb 0.33 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2rgr h LEU 741 CO 0.00 0.28 0.25 0.00 -0.34 0.00 0.00 178.44 178.64 2rgr h ALA 742 N 1.18 0.49 -0.24 1.25 0.00 0.00 -1.22 119.26 120.73 2rgr h ALA 742 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2rgr h ALA 742 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rgr h ALA 742 CO -0.07 -0.04 0.31 1.96 0.00 0.00 0.00 179.25 181.41 2rgr h GLN 743 N 0.52 0.00 0.16 0.00 1.08 -1.36 0.16 115.11 115.67 2rgr h GLN 743 Ca 0.14 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.10 2rgr h GLN 743 Cb -0.05 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2rgr h GLN 743 CO -0.03 0.00 -1.03 1.15 -0.95 0.00 0.00 178.83 177.97 2rgr h THR 744 N 0.00 1.42 -0.09 -0.54 2.02 -1.18 -1.84 112.91 112.70 2rgr h THR 744 Ca 0.11 -2.53 -0.00 0.00 0.77 0.00 0.00 66.41 64.76 2rgr h THR 744 Cb 0.74 3.06 -0.00 0.00 -1.74 0.00 0.00 68.15 70.20 2rgr h THR 744 CO -0.00 0.74 0.05 0.40 0.37 0.00 0.00 175.52 177.08 2rgr h ILE 745 N -0.14 1.06 -0.81 3.11 2.04 -0.87 -1.62 117.51 120.28 2rgr h ILE 745 Ca -0.17 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.66 2rgr h ILE 745 Cb 1.79 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 2rgr h ILE 745 CO 0.19 0.05 0.42 0.40 0.00 0.00 0.00 178.15 179.21 2rgr h ILE 746 N 0.08 0.80 -0.45 -0.67 2.04 -0.76 -1.77 117.51 116.79 2rgr h ILE 746 Ca 0.03 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 2rgr h ILE 746 Cb 0.03 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2rgr h ILE 746 CO -0.01 0.12 0.00 1.23 0.00 0.00 0.00 178.15 179.50 2rgr h GLY 747 N 0.66 0.78 2.00 5.37 0.00 -1.00 -1.72 103.07 109.16 2rgr h GLY 747 Ca 0.42 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2rgr h GLY 747 CO -0.31 0.47 -0.14 1.41 0.00 0.00 0.00 176.54 177.97 2rgr h LEU 748 N 0.68 0.00 0.00 3.11 3.38 -0.43 -3.25 115.31 118.80 2rgr h LEU 748 Ca 0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 2rgr h LEU 748 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2rgr h LEU 748 CO 0.02 0.14 -2.04 0.00 0.09 0.00 0.00 178.44 176.64 2rgr n ALA 749 N -2.20 2.06 -1.64 1.53 0.00 -0.89 -3.35 120.51 116.02 2rgr n ALA 749 Ca -0.00 -0.88 -0.44 0.00 0.00 0.00 0.00 53.44 52.11 2rgr n ALA 749 Cb 0.34 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2rgr n ALA 749 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2rgr n GLN 750 N -2.60 1.69 0.00 0.00 6.02 -0.70 -3.74 117.38 118.05 2rgr n GLN 750 Ca -0.18 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2rgr n GLN 750 Cb 0.88 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2rgr n GLN 750 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2rgr n ASN 751 N 1.38 0.42 -4.39 1.08 6.94 -1.26 -4.25 115.26 115.18 2rgr n ASN 751 Ca 0.09 -0.81 -0.32 0.00 -0.02 0.00 0.00 54.58 53.52 2rgr n ASN 751 Cb 0.32 0.15 0.16 0.00 -2.36 0.00 0.00 39.78 38.04 2rgr n ASN 751 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2rgr n PHE 752 N -0.15 -1.24 -2.08 -2.53 1.16 -1.26 -4.81 117.46 106.55 2rgr n PHE 752 Ca 0.00 0.18 -0.42 0.00 -1.87 0.00 0.00 57.45 55.34 2rgr n PHE 752 Cb 0.08 -1.71 -0.03 0.00 -1.61 0.00 0.00 39.48 36.21 2rgr n PHE 752 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2rgr s VAL 753 N -2.36 3.35 0.00 1.97 1.01 -1.26 -2.66 120.40 120.45 2rgr s VAL 753 Ca 0.58 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2rgr s VAL 753 Cb -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2rgr s VAL 753 CO 0.66 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2rgr n GLY 754 N 3.79 1.12 0.77 4.51 0.00 -1.26 -4.80 105.19 109.33 2rgr n GLY 754 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2rgr n GLY 754 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rgr n SER 755 N 0.00 1.17 -3.81 1.61 3.41 -1.09 -4.63 113.62 110.28 2rgr n SER 755 Ca 0.00 0.17 -0.23 0.00 -0.26 0.00 0.00 58.87 58.55 2rgr n SER 755 Cb 0.00 -0.41 -0.17 0.00 -0.26 0.00 0.00 64.21 63.37 2rgr n SER 755 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2rgr s ASN 756 N -5.80 1.60 0.15 4.04 0.01 -1.26 -5.01 114.94 108.66 2rgr s ASN 756 Ca -0.07 -0.12 -0.13 0.00 -0.71 0.00 0.00 52.86 51.82 2rgr s ASN 756 Cb 0.01 -0.50 0.02 0.00 0.41 0.00 0.00 41.25 41.18 2rgr s ASN 756 CO 0.11 -0.17 1.62 0.78 -1.51 0.00 0.00 177.10 177.93 2rgr h ASN 757 N 8.17 0.78 -3.29 -1.22 -0.26 -1.85 -3.40 115.58 114.50 2rgr h ASN 757 Ca -0.23 -0.27 -0.58 0.00 -0.56 0.00 0.00 56.30 54.66 2rgr h ASN 757 Cb 1.13 -0.21 -0.34 0.00 -1.06 0.00 0.00 38.32 37.84 2rgr h ASN 757 CO 0.31 0.85 -0.83 -0.63 -1.06 0.00 0.00 177.43 176.07 2rgr s ILE 758 N -5.15 1.45 -0.27 2.81 1.01 -1.26 -4.84 121.20 114.95 2rgr s ILE 758 Ca -0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 2rgr s ILE 758 Cb 0.11 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2rgr s ILE 758 CO 0.80 0.43 0.23 -0.72 0.00 0.00 0.00 174.94 175.68 2rgr s TYR 759 N 0.94 3.23 0.33 3.97 1.13 -1.26 -4.95 117.35 120.75 2rgr s TYR 759 Ca -0.08 0.20 0.12 0.00 -1.41 0.00 0.00 57.07 55.90 2rgr s TYR 759 Cb -0.15 -2.42 0.59 0.00 -1.10 0.00 0.00 41.96 38.89 2rgr s TYR 759 CO -0.01 -0.16 1.75 -0.07 -2.51 0.00 0.00 175.55 174.55 2rgr h LEU 760 N 8.36 0.00 -9.13 -3.49 3.38 -1.92 -3.43 115.31 109.08 2rgr h LEU 760 Ca -0.34 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.95 2rgr h LEU 760 Cb 1.18 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 2rgr h LEU 760 CO 0.58 0.46 -0.73 -0.76 0.09 0.00 0.00 178.44 178.08 2rgr s LEU 761 N -7.96 3.02 0.06 1.67 1.43 -1.23 -0.39 118.68 115.27 2rgr s LEU 761 Ca -0.02 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 2rgr s LEU 761 Cb 0.14 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 2rgr s LEU 761 CO 0.74 0.28 0.76 -0.76 0.23 0.00 0.00 176.35 177.60 2rgr s LEU 762 N -1.38 4.46 -1.13 1.79 1.43 -0.81 -4.08 118.68 118.97 2rgr s LEU 762 Ca 0.16 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.58 2rgr s LEU 762 Cb -0.11 -3.23 0.19 0.00 0.03 0.00 0.00 46.19 43.07 2rgr s LEU 762 CO 0.07 0.04 1.30 -2.16 0.23 0.00 0.00 176.35 175.83 2rgr s PRO 763 N -0.19 4.01 -0.79 1.29 0.05 -1.24 -4.16 135.00 133.97 2rgr s PRO 763 Ca 0.38 -2.57 -0.20 0.00 0.05 0.00 0.00 61.00 58.66 2rgr s PRO 763 Cb -0.21 -4.92 0.10 0.00 0.05 0.00 0.00 34.50 29.52 2rgr s PRO 763 CO 0.23 -1.65 1.03 -0.80 0.05 0.00 0.00 177.00 175.85 2rgr s ASN 764 N 2.65 6.40 0.00 6.66 0.01 -0.51 -4.82 114.94 125.33 2rgr s ASN 764 Ca 0.38 -1.55 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 2rgr s ASN 764 Cb -0.05 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2rgr s ASN 764 CO -0.03 -1.23 0.00 0.61 -1.51 0.00 0.00 177.10 174.94 2rgr n GLY 765 N 5.43 0.80 3.52 0.66 0.00 -1.26 -1.04 105.19 113.29 2rgr n GLY 765 Ca 0.10 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2rgr n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgr s ALA 766 N -1.39 3.06 -2.38 4.61 0.00 -1.26 -4.83 121.76 119.56 2rgr s ALA 766 Ca 0.00 -2.55 0.22 0.00 0.00 0.00 0.00 51.96 49.64 2rgr s ALA 766 Cb 0.00 -4.34 0.41 0.00 0.00 0.00 0.00 23.12 19.20 2rgr s ALA 766 CO 0.00 -3.32 1.38 1.19 0.00 0.00 0.00 175.76 175.01 2rgr n PHE 767 N 7.82 0.49 0.00 0.00 3.01 -1.26 -0.98 117.46 126.53 2rgr n PHE 767 Ca 0.31 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2rgr n PHE 767 Cb 0.50 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2rgr n PHE 767 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2rgr n GLY 768 N 1.45 2.62 3.11 1.37 0.00 -1.26 -4.62 105.19 107.85 2rgr n GLY 768 Ca 0.19 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2rgr n GLY 768 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rgr s THR 769 N -2.28 0.38 0.50 2.61 -4.23 -1.26 -4.73 115.64 106.64 2rgr s THR 769 Ca 0.00 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 59.02 2rgr s THR 769 Cb 0.00 -1.45 0.45 0.00 1.34 0.00 0.00 72.50 72.84 2rgr s THR 769 CO 0.00 -0.90 1.88 -0.09 -0.54 0.00 0.00 174.62 174.98 2rgr h ARG 770 N 3.25 0.12 0.00 3.99 2.43 -1.94 -1.79 114.38 120.44 2rgr h ARG 770 Ca -0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2rgr h ARG 770 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2rgr h ARG 770 CO 0.63 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 179.17 2rgr h ALA 771 N 1.58 1.00 0.00 2.80 0.00 -1.95 -2.42 119.26 120.27 2rgr h ALA 771 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2rgr h ALA 771 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2rgr h ALA 771 CO -0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.44 2rgr n THR 772 N -2.81 0.09 -2.09 0.00 -2.24 -0.81 -2.40 114.28 104.03 2rgr n THR 772 Ca -0.02 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 2rgr n THR 772 Cb 0.10 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 2rgr n THR 772 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgr n GLY 773 N -0.05 0.10 1.18 3.38 0.00 -0.91 -3.67 105.19 105.22 2rgr n GLY 773 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2rgr n GLY 773 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rgr n GLY 774 N -1.10 0.70 0.00 -0.02 0.00 -0.74 -4.92 105.19 99.12 2rgr n GLY 774 Ca -0.12 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2rgr n GLY 774 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rgr n LYS 775 N -2.59 0.14 -0.02 1.61 2.85 -1.24 -3.42 118.16 115.49 2rgr n LYS 775 Ca 0.00 -0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.37 2rgr n LYS 775 Cb 0.00 -1.50 0.61 0.00 -0.65 0.00 0.00 35.03 33.49 2rgr n LYS 775 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2rgr n ASP 776 N -1.43 0.50 -4.67 -5.58 5.75 -1.26 -4.94 116.55 104.91 2rgr n ASP 776 Ca 0.09 -1.39 -0.35 0.00 -0.01 0.00 0.00 54.79 53.13 2rgr n ASP 776 Cb 0.31 -0.02 0.10 0.00 -1.03 0.00 0.00 41.12 40.48 2rgr n ASP 776 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rgr n ALA 777 N -0.51 0.21 -1.95 2.12 0.00 -1.22 -4.70 120.51 114.45 2rgr n ALA 777 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 2rgr n ALA 777 Cb 0.16 -2.22 0.18 0.00 0.00 0.00 0.00 19.45 17.57 2rgr n ALA 777 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rgr s ALA 778 N -1.81 2.58 0.29 0.00 0.00 -0.16 -4.91 121.76 117.76 2rgr s ALA 778 Ca 0.76 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2rgr s ALA 778 Cb -0.33 -2.54 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 2rgr s ALA 778 CO 0.48 -2.29 1.24 0.00 0.00 0.00 0.00 175.76 175.19 2rgr s ALA 779 N -3.74 3.47 0.59 0.00 0.00 -1.26 -4.90 121.76 115.92 2rgr s ALA 779 Ca 0.74 1.12 0.30 0.00 0.00 0.00 0.00 51.96 54.11 2rgr s ALA 779 Cb -0.03 -3.43 1.40 0.00 0.00 0.00 0.00 23.12 21.06 2rgr s ALA 779 CO 0.51 -0.47 1.78 0.00 0.00 0.00 0.00 175.76 177.59 2rgr h ALA 780 N 3.83 2.46 -0.00 0.00 0.00 -1.95 -0.57 119.26 123.02 2rgr h ALA 780 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2rgr h ALA 780 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2rgr h ALA 780 CO 0.68 -1.01 -0.18 2.89 0.00 0.00 0.00 179.25 181.63 2rgr n ARG 781 N -3.71 0.19 0.00 0.00 1.85 -1.26 -2.19 116.66 111.55 2rgr n ARG 781 Ca 0.14 -0.06 0.07 0.00 -1.00 0.00 0.00 57.85 57.00 2rgr n ARG 781 Cb 0.91 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.84 2rgr n ARG 781 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2rgr n TYR 782 N -1.35 0.00 -4.33 2.89 4.01 -0.22 -4.92 117.16 113.23 2rgr n TYR 782 Ca 0.09 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.59 2rgr n TYR 782 Cb 0.32 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.23 2rgr n TYR 782 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2rgr s ILE 783 N -1.62 1.89 0.04 -0.72 -4.36 -1.22 -4.85 121.20 110.36 2rgr s ILE 783 Ca 0.14 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.86 2rgr s ILE 783 Cb 0.12 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 2rgr s ILE 783 CO 0.31 -0.14 -0.22 -0.31 0.24 0.00 0.00 174.94 174.82 2rgr s TYR 784 N -1.51 1.95 0.30 1.37 1.51 -0.21 -1.29 117.35 119.48 2rgr s TYR 784 Ca 0.12 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2rgr s TYR 784 Cb -0.08 -1.17 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 2rgr s TYR 784 CO 0.06 0.10 0.02 0.95 -1.11 0.00 0.00 175.55 175.57 2rgr s THR 785 N -0.80 1.30 0.31 -0.71 -4.23 -0.96 -1.42 115.64 109.12 2rgr s THR 785 Ca 0.09 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 2rgr s THR 785 Cb -0.09 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.13 2rgr s THR 785 CO 0.02 -0.13 0.64 -1.83 -0.54 0.00 0.00 174.62 172.78 2rgr s GLU 786 N -3.84 1.89 0.48 3.99 -1.05 -1.26 -1.83 118.70 117.08 2rgr s GLU 786 Ca 0.33 -1.31 -0.23 0.00 -0.15 0.00 0.00 54.97 53.62 2rgr s GLU 786 Cb 0.07 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.25 2rgr s GLU 786 CO 0.14 -0.84 1.21 -0.51 0.95 0.00 0.00 175.26 176.20 2rgr s LEU 787 N -3.04 3.97 0.17 1.83 1.43 -0.04 -1.92 118.68 121.08 2rgr s LEU 787 Ca 0.18 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 2rgr s LEU 787 Cb -0.04 -4.26 -0.08 0.00 0.03 0.00 0.00 46.19 41.85 2rgr s LEU 787 CO 0.11 -1.07 1.26 0.21 0.23 0.00 0.00 176.35 177.09 2rgr s ASN 788 N -1.28 6.98 0.38 2.29 3.84 0.47 -4.66 114.94 122.96 2rgr s ASN 788 Ca 0.66 2.28 0.14 0.00 0.21 0.00 0.00 52.86 56.14 2rgr s ASN 788 Cb -0.31 -2.60 0.97 0.00 -0.55 0.00 0.00 41.25 38.76 2rgr s ASN 788 CO 0.37 -0.47 1.81 0.50 -2.79 0.00 0.00 177.10 176.52 2rgr h LYS 789 N 5.66 0.51 0.00 0.43 3.64 -1.94 0.21 116.57 125.09 2rgr h LYS 789 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2rgr h LYS 789 Cb 1.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2rgr h LYS 789 CO 0.78 0.34 0.00 1.25 -2.27 0.00 0.00 179.45 179.55 2rgr h LEU 790 N 0.53 0.00 -1.14 5.20 5.85 -1.91 -3.31 115.31 120.54 2rgr h LEU 790 Ca 0.53 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.18 2rgr h LEU 790 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2rgr h LEU 790 CO -0.27 0.00 -0.17 0.74 -0.34 0.00 0.00 178.44 178.40 2rgr h THR 791 N 0.00 1.23 -0.02 1.05 2.02 -0.87 0.53 112.91 116.85 2rgr h THR 791 Ca 0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2rgr h THR 791 Cb 0.50 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2rgr h THR 791 CO 0.00 0.33 0.00 -1.14 0.37 0.00 0.00 175.52 175.08 2rgr n ARG 792 N -4.19 1.24 0.01 6.66 3.00 -1.24 -1.23 116.66 120.91 2rgr n ARG 792 Ca -0.00 -0.35 0.11 0.00 -0.00 0.00 0.00 57.85 57.60 2rgr n ARG 792 Cb 0.34 -1.46 -0.08 0.00 0.00 0.00 0.00 32.46 31.26 2rgr n ARG 792 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2rgr n LYS 793 N -0.54 0.32 -0.12 -0.14 5.02 0.15 -4.12 118.16 118.73 2rgr n LYS 793 Ca 0.21 -0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 2rgr n LYS 793 Cb 0.19 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 2rgr n LYS 793 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rgr n ILE 794 N -1.93 1.54 -3.21 -0.18 5.41 -1.03 -4.66 119.36 115.30 2rgr n ILE 794 Ca 0.01 -0.32 -0.46 0.00 1.00 0.00 0.00 62.75 62.97 2rgr n ILE 794 Cb 0.45 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.49 2rgr n ILE 794 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2rgr s PHE 795 N -2.47 3.67 0.17 1.39 0.40 -0.36 -2.29 117.98 118.48 2rgr s PHE 795 Ca -0.35 -1.95 -0.32 0.00 -0.60 0.00 0.00 56.93 53.71 2rgr s PHE 795 Cb 0.12 -3.96 -0.11 0.00 0.51 0.00 0.00 43.02 39.58 2rgr s PHE 795 CO 0.54 -1.13 1.64 -1.58 0.70 0.00 0.00 175.22 175.39 2rgr s HIS 796 N 0.65 2.92 0.31 0.36 2.46 -1.26 -4.54 115.29 116.20 2rgr s HIS 796 Ca 0.25 0.48 -0.01 0.00 0.47 0.00 0.00 55.06 56.25 2rgr s HIS 796 Cb -0.08 -4.01 0.50 0.00 -0.13 0.00 0.00 32.58 28.85 2rgr s HIS 796 CO -0.09 -3.81 1.98 -1.00 -2.47 0.00 0.00 174.74 169.35 2rgr h PRO 797 N 7.00 1.01 0.00 2.88 0.13 -1.97 -1.76 132.00 139.29 2rgr h PRO 797 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2rgr h PRO 797 Cb 1.20 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2rgr h PRO 797 CO 0.93 0.67 0.25 0.00 -0.23 0.00 0.00 178.00 179.62 2rgr h ALA 798 N 1.52 1.23 0.00 -0.56 0.00 -1.97 -0.54 119.26 118.94 2rgr h ALA 798 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2rgr h ALA 798 Cb -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2rgr h ALA 798 CO -0.06 -0.23 -0.97 -0.44 0.00 0.00 0.00 179.25 177.55 2rgr h ASP 799 N 0.00 0.00 -0.91 0.00 3.32 -1.70 -3.38 116.42 113.75 2rgr h ASP 799 Ca 0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 2rgr h ASP 799 Cb 0.49 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.93 2rgr h ASP 799 CO 0.00 0.42 0.46 0.44 -1.72 0.00 0.00 179.24 178.84 2rgr h ASP 800 N 0.00 0.50 0.34 6.45 3.32 -1.18 -0.61 116.42 125.25 2rgr h ASP 800 Ca -0.08 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2rgr h ASP 800 Cb 1.38 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2rgr h ASP 800 CO 0.04 0.12 0.00 -0.65 -1.72 0.00 0.00 179.24 177.03 2rgr h PRO 801 N 0.55 0.00 0.00 3.56 0.11 -1.75 -3.16 132.00 131.31 2rgr h PRO 801 Ca 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.58 2rgr h PRO 801 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2rgr h PRO 801 CO -0.45 0.00 -1.18 1.28 -0.21 0.00 0.00 178.00 177.44 2rgr n LEU 802 N -2.34 0.85 -4.84 2.35 4.77 -0.23 -4.98 117.00 112.57 2rgr n LEU 802 Ca -0.00 0.35 -0.31 0.00 -0.03 0.00 0.00 56.01 56.02 2rgr n LEU 802 Cb 0.13 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2rgr n LEU 802 CO 0.15 -0.05 0.71 -0.31 -1.33 0.00 0.00 177.39 176.57 2rgr s TYR 803 N -3.18 3.29 -0.44 -1.77 2.02 -1.20 -5.01 117.35 111.06 2rgr s TYR 803 Ca -0.02 1.38 -0.20 0.00 -0.37 0.00 0.00 57.07 57.87 2rgr s TYR 803 Cb 0.09 -2.83 0.03 0.00 -0.40 0.00 0.00 41.96 38.85 2rgr s TYR 803 CO 0.80 -1.02 0.60 0.21 -1.57 0.00 0.00 175.55 174.56 2rgr s LYS 804 N -5.03 3.22 -0.39 -0.62 2.20 -1.26 -5.02 119.74 112.83 2rgr s LYS 804 Ca 0.57 -0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 55.41 2rgr s LYS 804 Cb -0.13 -3.97 0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2rgr s LYS 804 CO 0.53 -1.00 0.86 0.71 -0.36 0.00 0.00 175.35 176.09 2rgr s TYR 805 N 2.65 3.05 0.44 4.03 1.51 -1.26 -2.22 117.35 125.54 2rgr s TYR 805 Ca 0.19 0.56 -0.23 0.00 -1.01 0.00 0.00 57.07 56.58 2rgr s TYR 805 Cb -0.15 -3.63 -0.11 0.00 -0.11 0.00 0.00 41.96 37.96 2rgr s TYR 805 CO 0.17 -0.87 0.85 -0.89 -1.11 0.00 0.00 175.55 173.70 2rgr n ILE 806 N 6.02 2.33 -3.60 2.71 5.41 -0.34 -4.61 119.36 127.28 2rgr n ILE 806 Ca 0.05 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.94 2rgr n ILE 806 Cb 0.48 -0.94 -0.08 0.00 -0.71 0.00 0.00 39.64 38.39 2rgr n ILE 806 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2rgr s GLN 807 N -1.93 4.18 -0.07 0.38 2.00 -1.26 -1.01 119.66 121.95 2rgr s GLN 807 Ca 0.64 -0.07 -0.04 0.00 -2.00 0.00 0.00 55.36 53.89 2rgr s GLN 807 Cb -0.56 -3.47 0.03 0.00 0.80 0.00 0.00 33.01 29.81 2rgr s GLN 807 CO 0.56 0.17 0.16 -2.00 -0.50 0.00 0.00 175.29 173.68 2rgr s GLU 808 N 0.71 0.12 -1.71 1.67 2.12 0.83 -4.85 118.70 117.58 2rgr s GLU 808 Ca 0.12 0.35 -0.19 0.00 0.36 0.00 0.00 54.97 55.61 2rgr s GLU 808 Cb -0.13 -0.11 0.16 0.00 0.26 0.00 0.00 34.13 34.32 2rgr s GLU 808 CO 0.03 -0.13 0.79 -0.25 -0.54 0.00 0.00 175.26 175.16 2rgr n ASP 809 N 3.92 -3.31 -0.95 -1.70 9.92 -1.26 -1.41 116.55 121.75 2rgr n ASP 809 Ca -0.23 -1.02 -0.12 0.00 -0.53 0.00 0.00 54.79 52.89 2rgr n ASP 809 Cb 0.54 -2.71 -0.05 0.00 -0.64 0.00 0.00 41.12 38.25 2rgr n ASP 809 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2rgr n GLU 810 N -4.37 -0.99 -4.32 -1.24 1.02 -1.26 -5.00 120.64 104.50 2rgr n GLU 810 Ca 0.08 0.92 -0.26 0.00 -0.02 0.00 0.00 57.16 57.89 2rgr n GLU 810 Cb 0.49 -4.99 -0.09 0.00 -0.02 0.00 0.00 31.44 26.82 2rgr n GLU 810 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2rgr s LYS 811 N -2.99 2.01 0.20 3.49 2.20 -0.50 -5.14 119.74 119.02 2rgr s LYS 811 Ca 0.00 -1.35 -0.02 0.00 -0.36 0.00 0.00 55.97 54.25 2rgr s LYS 811 Cb 0.00 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 2rgr s LYS 811 CO 0.00 0.41 0.41 0.99 -0.36 0.00 0.00 175.35 176.80 2rgr s THR 812 N -1.84 5.18 0.00 3.43 2.01 -1.26 -0.12 115.64 123.04 2rgr s THR 812 Ca 0.26 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2rgr s THR 812 Cb -0.08 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2rgr s THR 812 CO 0.15 -0.16 0.00 1.33 -0.69 0.00 0.00 174.62 175.26 2rgr n VAL 813 N -0.57 0.00 -0.61 3.82 0.24 -0.18 -4.89 118.33 116.13 2rgr n VAL 813 Ca -0.04 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.95 2rgr n VAL 813 Cb 0.53 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 33.10 2rgr n VAL 813 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2rgr n GLU 814 N 0.00 -1.93 -1.91 7.34 0.00 -1.26 -3.90 120.64 118.98 2rgr n GLU 814 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 57.16 56.31 2rgr n GLU 814 Cb 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 31.44 29.65 2rgr n GLU 814 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 2rgr s PRO 815 N -3.69 3.15 0.25 3.44 0.02 -1.26 -1.19 135.00 135.71 2rgr s PRO 815 Ca 0.59 0.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.12 2rgr s PRO 815 Cb -0.15 -2.06 0.47 0.00 0.02 0.00 0.00 34.50 32.78 2rgr s PRO 815 CO 0.66 -0.83 1.70 0.93 -0.33 0.00 0.00 177.00 179.13 2rgr h GLU 816 N -0.50 0.33 -2.78 5.54 5.08 -1.83 -3.44 114.58 116.98 2rgr h GLU 816 Ca -0.45 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2rgr h GLU 816 Cb 1.23 -0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 2rgr h GLU 816 CO 0.63 0.22 0.28 1.67 -1.00 0.00 0.00 179.01 180.81 2rgr s TRP 817 N -6.03 -0.50 0.42 4.33 1.48 -1.26 -5.03 118.94 112.35 2rgr s TRP 817 Ca -0.13 0.33 0.08 0.00 -1.06 0.00 0.00 56.10 55.33 2rgr s TRP 817 Cb 0.21 0.55 0.01 0.00 -1.16 0.00 0.00 33.47 33.08 2rgr s TRP 817 CO 0.76 -0.76 0.54 0.71 -4.06 0.00 0.00 176.95 174.14 2rgr s TYR 818 N -3.49 2.81 -0.46 1.66 2.02 -1.26 -4.87 117.35 113.76 2rgr s TYR 818 Ca 0.01 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2rgr s TYR 818 Cb -0.01 -2.34 0.21 0.00 -0.40 0.00 0.00 41.96 39.41 2rgr s TYR 818 CO -0.11 -0.37 0.47 -0.11 -1.57 0.00 0.00 175.55 173.85 2rgr n LEU 819 N -1.81 0.61 -4.63 -1.29 7.94 -1.26 -3.66 117.00 112.90 2rgr n LEU 819 Ca 0.07 -4.70 -0.29 0.00 -1.11 0.00 0.00 56.01 49.98 2rgr n LEU 819 Cb 0.59 0.30 0.18 0.00 0.53 0.00 0.00 43.42 45.02 2rgr n LEU 819 CO 0.39 1.95 0.62 -2.16 -1.11 0.00 0.00 177.39 177.08 2rgr s PRO 820 N -0.84 0.47 0.00 1.96 0.04 -1.26 -4.85 135.00 130.51 2rgr s PRO 820 Ca 0.34 0.97 0.26 0.00 0.04 0.00 0.00 61.00 62.61 2rgr s PRO 820 Cb 0.09 -1.71 1.37 0.00 0.04 0.00 0.00 34.50 34.30 2rgr s PRO 820 CO -0.14 -2.83 1.88 0.44 0.04 0.00 0.00 177.00 176.39 2rgr n ILE 821 N -4.31 0.13 -3.90 0.56 -5.35 -0.97 -4.68 119.36 100.84 2rgr n ILE 821 Ca 0.07 0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.49 2rgr n ILE 821 Cb 0.54 -0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 37.75 2rgr n ILE 821 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2rgr s LEU 822 N -2.40 1.64 -0.85 7.28 2.34 -1.26 -4.97 118.68 120.47 2rgr s LEU 822 Ca 0.29 -0.63 -0.25 0.00 0.06 0.00 0.00 54.13 53.60 2rgr s LEU 822 Cb 0.17 0.82 -0.02 0.00 -0.56 0.00 0.00 46.19 46.61 2rgr s LEU 822 CO 0.36 -0.64 1.78 -2.16 -1.06 0.00 0.00 176.35 174.63 2rgr s PRO 823 N -3.42 2.81 0.57 1.48 0.04 -1.26 -4.81 135.00 130.41 2rgr s PRO 823 Ca 0.02 -0.24 0.28 0.00 0.04 0.00 0.00 61.00 61.10 2rgr s PRO 823 Cb 0.03 -4.90 1.48 0.00 0.04 0.00 0.00 34.50 31.15 2rgr s PRO 823 CO -0.08 -2.92 1.95 0.52 0.04 0.00 0.00 177.00 176.50 2rgr h MET 824 N 11.72 0.00 0.00 4.56 2.86 -1.81 0.45 114.93 132.71 2rgr h MET 824 Ca 0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2rgr h MET 824 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2rgr h MET 824 CO 1.26 0.00 -0.42 0.97 1.06 0.00 0.00 176.91 179.78 2rgr h ILE 825 N 0.00 1.17 0.10 -1.22 2.10 -1.83 0.20 117.51 118.03 2rgr h ILE 825 Ca 0.23 -1.49 -0.28 0.00 1.08 0.00 0.00 64.86 64.40 2rgr h ILE 825 Cb 1.12 1.83 0.02 0.00 -1.09 0.00 0.00 36.82 38.70 2rgr h ILE 825 CO -0.00 0.41 -1.20 -0.07 -1.08 0.00 0.00 178.15 176.21 2rgr h LEU 826 N 0.00 0.76 0.23 2.19 3.38 -0.49 -0.94 115.31 120.44 2rgr h LEU 826 Ca -0.00 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 2rgr h LEU 826 Cb 0.80 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2rgr h LEU 826 CO 0.05 1.51 -0.11 0.58 0.09 0.00 0.00 178.44 180.57 2rgr h VAL 827 N 0.24 0.00 0.00 1.22 2.07 -0.70 0.56 116.25 119.65 2rgr h VAL 827 Ca -0.16 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 2rgr h VAL 827 Cb 1.87 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2rgr h VAL 827 CO 0.22 0.00 -0.87 0.78 0.02 0.00 0.00 177.57 177.72 2rgr h ASN 828 N -0.31 0.00 -3.34 0.57 2.35 -0.78 -2.32 115.58 111.75 2rgr h ASN 828 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2rgr h ASN 828 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2rgr h ASN 828 CO 0.05 0.54 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 2rgr n GLY 829 N 1.29 -1.87 3.58 2.83 0.00 -0.36 -4.29 105.19 106.37 2rgr n GLY 829 Ca -0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2rgr n GLY 829 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgr s ALA 830 N -1.18 -1.95 0.09 4.61 0.00 -0.67 -4.87 121.76 117.78 2rgr s ALA 830 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.54 2rgr s ALA 830 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2rgr s ALA 830 CO 0.00 -0.38 -0.09 -1.21 0.00 0.00 0.00 175.76 174.08 2rgr s GLU 831 N -1.50 0.80 -0.23 0.00 2.02 -1.26 -1.42 118.70 117.11 2rgr s GLU 831 Ca 0.02 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 2rgr s GLU 831 Cb -0.01 -0.42 0.16 0.00 0.10 0.00 0.00 34.13 33.96 2rgr s GLU 831 CO -0.02 0.05 1.21 0.20 0.02 0.00 0.00 175.26 176.73 2rgr s GLY 832 N -2.45 -0.09 -0.21 -1.39 0.00 -0.93 -4.94 107.32 97.31 2rgr s GLY 832 Ca 0.05 2.38 -0.00 0.00 0.00 0.00 0.00 44.72 47.15 2rgr s GLY 832 CO -0.01 1.00 -0.04 -0.42 0.00 0.00 0.00 173.10 173.63 2rgr s ILE 833 N -1.24 1.28 0.00 0.90 1.01 -1.26 -1.35 121.20 120.54 2rgr s ILE 833 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2rgr s ILE 833 Cb -0.01 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2rgr s ILE 833 CO -0.04 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2rgr n GLY 834 N 4.78 4.66 3.67 6.18 0.00 -0.64 -4.87 105.19 118.97 2rgr n GLY 834 Ca -0.12 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 2rgr n GLY 834 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rgr s THR 835 N 1.70 4.96 0.00 2.61 2.01 -1.26 -4.46 115.64 121.20 2rgr s THR 835 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2rgr s THR 835 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2rgr s THR 835 CO 0.00 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 2rgr n GLY 836 N 3.38 1.45 3.69 4.40 0.00 -1.26 -4.87 105.19 111.98 2rgr n GLY 836 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2rgr n GLY 836 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rgr s TRP 837 N 0.00 2.82 0.15 1.61 0.52 -1.26 -4.65 118.94 118.12 2rgr s TRP 837 Ca 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 56.10 55.89 2rgr s TRP 837 Cb 0.00 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 2rgr s TRP 837 CO 0.00 0.58 0.17 0.45 0.02 0.00 0.00 176.95 178.17 2rgr s SER 838 N -3.58 0.18 -0.11 2.95 0.15 -1.26 -1.62 113.70 110.41 2rgr s SER 838 Ca 0.31 -1.05 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 2rgr s SER 838 Cb -0.07 0.36 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2rgr s SER 838 CO 0.21 -0.81 0.38 0.28 1.20 0.00 0.00 173.24 174.50 2rgr s THR 839 N -4.01 0.02 -0.20 6.45 -1.32 -0.46 -4.42 115.64 111.70 2rgr s THR 839 Ca 0.21 -0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.48 2rgr s THR 839 Cb 0.05 -0.59 0.08 0.00 -1.51 0.00 0.00 72.50 70.54 2rgr s THR 839 CO 0.01 -0.07 0.43 -0.47 -2.21 0.00 0.00 174.62 172.31 2rgr s TYR 840 N -0.27 -0.78 -0.06 9.09 5.04 0.10 -2.19 117.35 128.28 2rgr s TYR 840 Ca -0.04 1.52 -0.01 0.00 -2.44 0.00 0.00 57.07 56.10 2rgr s TYR 840 Cb -0.03 0.32 0.03 0.00 0.35 0.00 0.00 41.96 42.63 2rgr s TYR 840 CO 0.02 -0.46 0.00 0.42 -1.34 0.00 0.00 175.55 174.19 2rgr s ILE 841 N 2.31 0.33 0.75 3.14 1.01 -0.51 -3.74 121.20 124.49 2rgr s ILE 841 Ca -0.04 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2rgr s ILE 841 Cb -0.11 -0.48 0.04 0.00 0.01 0.00 0.00 42.46 41.92 2rgr s ILE 841 CO -0.13 0.24 1.08 -2.16 0.00 0.00 0.00 174.94 173.97 2rgr s PRO 842 N 1.83 2.50 0.52 2.79 0.04 -1.26 -1.67 135.00 139.74 2rgr s PRO 842 Ca 0.03 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 2rgr s PRO 842 Cb -0.12 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 2rgr s PRO 842 CO -0.04 -1.37 1.05 -2.14 0.04 0.00 0.00 177.00 174.54 2rgr s PRO 843 N -5.10 3.65 0.22 0.56 0.02 -1.26 -4.37 135.00 128.73 2rgr s PRO 843 Ca 0.59 1.34 0.01 0.00 0.02 0.00 0.00 61.00 62.96 2rgr s PRO 843 Cb -0.14 -2.07 -0.00 0.00 0.02 0.00 0.00 34.50 32.30 2rgr s PRO 843 CO 0.55 -0.56 0.04 1.19 -0.33 0.00 0.00 177.00 177.89 2rgr n PHE 844 N -1.26 0.32 -3.43 6.54 3.01 0.19 -0.76 117.46 122.07 2rgr n PHE 844 Ca 0.09 -1.25 -0.41 0.00 1.01 0.00 0.00 57.45 56.89 2rgr n PHE 844 Cb 0.52 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.82 2rgr n PHE 844 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2rgr s ASN 845 N -2.29 6.15 0.41 4.37 2.47 -1.26 -4.58 114.94 120.20 2rgr s ASN 845 Ca 0.05 -0.33 0.21 0.00 0.42 0.00 0.00 52.86 53.22 2rgr s ASN 845 Cb 0.00 -2.18 1.19 0.00 -1.45 0.00 0.00 41.25 38.81 2rgr s ASN 845 CO 0.04 -0.33 1.73 -0.65 -3.72 0.00 0.00 177.10 174.16 2rgr h PRO 846 N 8.49 0.30 0.53 0.43 0.11 -1.93 -0.92 132.00 139.01 2rgr h PRO 846 Ca -0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2rgr h PRO 846 Cb 1.14 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.19 2rgr h PRO 846 CO 0.69 0.20 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.35 2rgr h LEU 847 N 0.31 -0.60 -1.10 2.35 3.38 -2.00 -1.97 115.31 115.67 2rgr h LEU 847 Ca 0.66 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.66 2rgr h LEU 847 Cb 1.79 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.63 2rgr h LEU 847 CO -0.34 -0.29 0.61 -0.33 0.09 0.00 0.00 178.44 178.18 2rgr h GLU 848 N -0.92 1.00 0.73 1.13 4.39 -1.75 -1.70 114.58 117.45 2rgr h GLU 848 Ca -0.07 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2rgr h GLU 848 Cb 0.62 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2rgr h GLU 848 CO 0.12 0.66 -0.49 0.82 -1.16 0.00 0.00 179.01 178.97 2rgr h ILE 849 N 1.03 0.00 -0.99 3.13 2.04 -1.08 -1.12 117.51 120.52 2rgr h ILE 849 Ca 0.42 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.59 2rgr h ILE 849 Cb 0.28 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.21 2rgr h ILE 849 CO -0.18 0.00 0.53 0.40 0.00 0.00 0.00 178.15 178.90 2rgr h ILE 850 N -1.15 0.30 -0.55 -0.67 2.04 -1.19 0.16 117.51 116.46 2rgr h ILE 850 Ca -0.10 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2rgr h ILE 850 Cb 0.93 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2rgr h ILE 850 CO 0.07 0.06 0.34 0.50 0.00 0.00 0.00 178.15 179.12 2rgr h LYS 851 N 0.32 0.66 -0.12 2.37 3.64 -0.30 -0.73 116.57 122.41 2rgr h LYS 851 Ca 0.71 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.92 2rgr h LYS 851 Cb 1.59 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2rgr h LYS 851 CO -0.61 0.44 -0.51 -0.91 -2.27 0.00 0.00 179.45 175.59 2rgr h ASN 852 N 0.68 0.35 -0.49 4.20 4.21 0.12 -1.19 115.58 123.47 2rgr h ASN 852 Ca 0.22 -0.18 0.02 0.00 1.21 0.00 0.00 56.30 57.58 2rgr h ASN 852 Cb -0.00 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.06 2rgr h ASN 852 CO -0.08 0.80 0.29 0.40 -1.29 0.00 0.00 177.43 177.54 2rgr h ILE 853 N 0.26 1.05 -0.87 2.81 2.04 -0.73 0.20 117.51 122.26 2rgr h ILE 853 Ca 0.01 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2rgr h ILE 853 Cb 0.98 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2rgr h ILE 853 CO 0.08 0.11 0.58 0.03 0.00 0.00 0.00 178.15 178.95 2rgr h ARG 854 N 0.58 1.14 -0.56 2.37 -0.00 -0.85 0.08 114.38 117.14 2rgr h ARG 854 Ca 0.20 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.98 59.61 2rgr h ARG 854 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 29.97 29.71 2rgr h ARG 854 CO -0.09 0.75 0.35 0.45 0.00 0.00 0.00 179.97 181.43 2rgr h HIS 855 N 1.17 0.73 0.00 3.04 3.86 0.17 -2.20 115.15 121.92 2rgr h HIS 855 Ca 0.32 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.44 2rgr h HIS 855 Cb -0.12 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 2rgr h HIS 855 CO -0.00 0.49 -0.43 -0.07 0.86 0.00 0.00 177.93 178.78 2rgr h LEU 856 N 0.76 0.00 -1.15 2.43 3.38 -0.05 0.59 115.31 121.27 2rgr h LEU 856 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2rgr h LEU 856 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2rgr h LEU 856 CO -0.04 0.43 -0.16 0.24 0.09 0.00 0.00 178.44 179.00 2rgr h MET 857 N 0.00 0.00 -0.27 1.13 2.86 -0.48 -3.12 114.93 115.05 2rgr h MET 857 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2rgr h MET 857 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2rgr h MET 857 CO 0.06 0.16 0.00 0.09 1.06 0.00 0.00 176.91 178.28 2rgr n ASN 858 N -3.31 3.76 -3.85 1.22 3.02 -0.87 -4.96 115.26 110.27 2rgr n ASN 858 Ca 0.00 -2.88 -0.29 0.00 -0.03 0.00 0.00 54.58 51.39 2rgr n ASN 858 Cb 0.41 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2rgr n ASN 858 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2rgr n ASP 859 N -0.37 -4.67 -4.81 6.41 2.03 -1.10 -4.97 116.55 109.07 2rgr n ASP 859 Ca 0.20 -0.75 -0.22 0.00 0.52 0.00 0.00 54.79 54.54 2rgr n ASP 859 Cb 0.83 -4.06 -0.05 0.00 -0.72 0.00 0.00 41.12 37.13 2rgr n ASP 859 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rgr s GLU 860 N -6.52 2.53 -0.03 -0.67 2.02 0.17 -5.04 118.70 111.16 2rgr s GLU 860 Ca 0.59 -1.47 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 2rgr s GLU 860 Cb -0.29 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 2rgr s GLU 860 CO 0.82 0.02 0.96 -2.00 0.02 0.00 0.00 175.26 175.07 2rgr s GLU 861 N -3.97 4.52 0.41 1.61 2.12 -1.26 -4.52 118.70 117.60 2rgr s GLU 861 Ca 0.42 1.36 -0.24 0.00 0.36 0.00 0.00 54.97 56.86 2rgr s GLU 861 Cb -0.03 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 2rgr s GLU 861 CO 0.25 -0.10 1.10 -0.51 -0.54 0.00 0.00 175.26 175.47 2rgr s LEU 862 N 1.20 4.15 0.53 2.70 1.43 -1.26 -4.99 118.68 122.43 2rgr s LEU 862 Ca 0.50 2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 2rgr s LEU 862 Cb -0.20 -4.14 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 2rgr s LEU 862 CO 0.25 -0.59 0.99 -1.61 0.23 0.00 0.00 176.35 175.61 2rgr s GLU 863 N -2.44 3.88 0.23 1.70 2.02 -1.26 -5.06 118.70 117.77 2rgr s GLU 863 Ca 0.58 0.90 -0.11 0.00 0.02 0.00 0.00 54.97 56.37 2rgr s GLU 863 Cb -0.25 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 2rgr s GLU 863 CO 0.32 -0.32 0.58 -1.14 0.02 0.00 0.00 175.26 174.72 2rgr s GLN 864 N -4.26 3.86 0.12 1.61 0.74 -1.26 -4.98 119.66 115.49 2rgr s GLN 864 Ca 0.58 0.36 0.10 0.00 0.05 0.00 0.00 55.36 56.46 2rgr s GLN 864 Cb -0.10 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 2rgr s GLN 864 CO 0.35 0.31 -0.25 -1.64 -0.55 0.00 0.00 175.29 173.52 2rgr s MET 865 N -2.73 1.32 0.22 1.67 -1.94 -1.26 -5.14 119.30 111.44 2rgr s MET 865 Ca 0.47 -1.30 0.10 0.00 -1.71 0.00 0.00 55.69 53.25 2rgr s MET 865 Cb -0.12 -1.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.95 2rgr s MET 865 CO 0.20 0.41 -0.19 -1.01 -0.01 0.00 0.00 175.02 174.42 2rgr s HIS 866 N -1.13 2.02 0.87 -0.03 0.09 -1.26 -5.02 115.29 110.83 2rgr s HIS 866 Ca 0.12 -0.43 -0.13 0.00 -0.00 0.00 0.00 55.06 54.62 2rgr s HIS 866 Cb -0.10 -0.93 0.06 0.00 -0.00 0.00 0.00 32.58 31.61 2rgr s HIS 866 CO 0.06 0.50 0.78 -2.30 -0.00 0.00 0.00 174.74 173.78 2rgr n PRO 867 N -0.24 -0.11 -3.63 8.40 -0.02 -1.26 -4.54 135.00 133.60 2rgr n PRO 867 Ca -0.09 0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.38 2rgr n PRO 867 Cb 0.59 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2rgr n PRO 867 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2rgr s TRP 868 N -2.29 -0.98 -0.20 6.00 -0.00 0.06 -4.91 118.94 116.62 2rgr s TRP 868 Ca 0.64 1.89 -0.01 0.00 -0.00 0.00 0.00 56.10 58.62 2rgr s TRP 868 Cb -0.26 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 33.80 2rgr s TRP 868 CO 0.60 -0.48 -0.12 -0.06 -0.00 0.00 0.00 176.95 176.88 2rgr s PHE 869 N 1.82 2.86 -0.14 5.86 0.40 -1.26 -3.95 117.98 123.57 2rgr s PHE 869 Ca -0.09 -1.25 -0.39 0.00 -0.60 0.00 0.00 56.93 54.60 2rgr s PHE 869 Cb -0.06 -2.00 -0.16 0.00 0.51 0.00 0.00 43.02 41.31 2rgr s PHE 869 CO -0.19 -0.65 1.56 -2.13 0.70 0.00 0.00 175.22 174.52 2rgr n ARG 870 N 4.64 1.05 -0.95 0.44 0.63 -1.26 -1.67 116.66 119.54 2rgr n ARG 870 Ca -0.19 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2rgr n ARG 870 Cb 0.51 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2rgr n ARG 870 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2rgr n GLY 871 N 3.46 0.85 3.86 5.14 0.00 -1.26 -4.48 105.19 112.76 2rgr n GLY 871 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2rgr n GLY 871 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2rgr s TRP 872 N -3.52 3.40 -0.06 1.61 -0.00 -0.67 -4.97 118.94 114.73 2rgr s TRP 872 Ca 0.00 1.10 0.16 0.00 -0.00 0.00 0.00 56.10 57.36 2rgr s TRP 872 Cb 0.00 -2.44 0.31 0.00 -0.00 0.00 0.00 33.47 31.34 2rgr s TRP 872 CO 0.00 0.17 1.14 0.25 -0.00 0.00 0.00 176.95 178.51 2rgr n THR 873 N -0.23 0.70 -2.06 5.86 -2.24 -1.26 -4.93 114.28 110.11 2rgr n THR 873 Ca 0.02 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 2rgr n THR 873 Cb 0.53 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2rgr n THR 873 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgr n GLY 874 N -0.20 1.76 3.21 3.38 0.00 -1.26 -4.95 105.19 107.14 2rgr n GLY 874 Ca 0.09 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 2rgr n GLY 874 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rgr s THR 875 N 1.71 1.57 -0.19 2.61 -4.23 -1.09 -4.98 115.64 111.04 2rgr s THR 875 Ca 0.00 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2rgr s THR 875 Cb 0.00 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.56 2rgr s THR 875 CO 0.00 0.37 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.70 2rgr s ILE 876 N -0.55 1.66 0.13 2.99 1.01 -1.26 -0.38 121.20 124.80 2rgr s ILE 876 Ca 0.07 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.89 2rgr s ILE 876 Cb -0.08 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2rgr s ILE 876 CO -0.00 0.26 -0.17 -1.83 0.00 0.00 0.00 174.94 173.20 2rgr s GLU 877 N 1.40 1.82 -0.03 2.79 -1.05 -0.44 -4.96 118.70 118.23 2rgr s GLU 877 Ca 0.00 -1.22 -0.17 0.00 -0.15 0.00 0.00 54.97 53.43 2rgr s GLU 877 Cb -0.15 -2.10 -0.05 0.00 -0.44 0.00 0.00 34.13 31.38 2rgr s GLU 877 CO -0.09 0.47 0.47 -2.00 0.95 0.00 0.00 175.26 175.06 2rgr s GLU 878 N -2.31 4.15 -0.05 -4.83 2.12 -1.26 -0.94 118.70 115.58 2rgr s GLU 878 Ca 0.19 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.98 2rgr s GLU 878 Cb -0.10 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2rgr s GLU 878 CO 0.11 0.47 -0.11 -0.89 -0.54 0.00 0.00 175.26 174.30 2rgr n ILE 879 N 2.53 0.53 -4.14 -3.70 5.41 -0.65 -4.94 119.36 114.40 2rgr n ILE 879 Ca -0.10 0.33 -0.23 0.00 1.00 0.00 0.00 62.75 63.75 2rgr n ILE 879 Cb 0.52 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.67 2rgr n ILE 879 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2rgr s GLU 880 N -1.64 2.35 0.41 0.38 2.02 -1.22 -5.02 118.70 115.99 2rgr s GLU 880 Ca -0.09 -1.54 -0.26 0.00 0.02 0.00 0.00 54.97 53.10 2rgr s GLU 880 Cb 0.01 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 2rgr s GLU 880 CO 0.13 0.15 1.38 -1.25 0.02 0.00 0.00 175.26 175.69 2rgr s PRO 881 N -3.82 3.90 0.00 0.39 0.04 -1.26 -1.44 135.00 132.82 2rgr s PRO 881 Ca 0.37 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2rgr s PRO 881 Cb -0.03 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2rgr s PRO 881 CO 0.22 -0.61 0.00 1.28 0.04 0.00 0.00 177.00 177.93 2rgr n LEU 882 N 0.09 0.24 -3.77 -3.56 4.77 -1.26 -5.01 117.00 108.50 2rgr n LEU 882 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 2rgr n LEU 882 Cb 0.42 -0.75 -0.15 0.00 -2.33 0.00 0.00 43.42 40.61 2rgr n LEU 882 CO 0.58 -0.20 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.01 2rgr s ARG 883 N -0.39 0.02 0.08 3.23 0.52 -0.52 -1.26 118.95 120.63 2rgr s ARG 883 Ca 0.00 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.47 2rgr s ARG 883 Cb 0.00 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 2rgr s ARG 883 CO 0.00 -0.15 -0.08 0.71 0.02 0.00 0.00 175.30 175.80 2rgr s TYR 884 N 0.98 0.90 -0.07 -0.53 1.51 -0.01 -1.64 117.35 118.48 2rgr s TYR 884 Ca -0.08 -0.73 0.05 0.00 -1.01 0.00 0.00 57.07 55.30 2rgr s TYR 884 Cb -0.11 -0.51 -0.00 0.00 -0.11 0.00 0.00 41.96 41.23 2rgr s TYR 884 CO -0.04 -0.08 -0.22 1.03 -1.11 0.00 0.00 175.55 175.13 2rgr s ARG 885 N -2.96 2.50 -0.18 -0.62 0.52 -0.12 -1.11 118.95 116.98 2rgr s ARG 885 Ca 0.05 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 2rgr s ARG 885 Cb -0.01 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.41 2rgr s ARG 885 CO -0.02 0.27 -0.08 1.41 0.02 0.00 0.00 175.30 176.90 2rgr s MET 886 N 0.08 3.41 0.11 3.54 -2.45 0.12 -1.32 119.30 122.78 2rgr s MET 886 Ca -0.09 -0.64 0.06 0.00 -1.25 0.00 0.00 55.69 53.77 2rgr s MET 886 Cb -0.15 -2.84 -0.04 0.00 1.25 0.00 0.00 34.83 33.06 2rgr s MET 886 CO 0.05 0.02 -0.04 0.71 1.05 0.00 0.00 175.02 176.80 2rgr s TYR 887 N 0.89 2.86 0.00 4.11 2.02 0.49 -1.72 117.35 126.00 2rgr s TYR 887 Ca -0.02 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2rgr s TYR 887 Cb -0.15 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2rgr s TYR 887 CO 0.01 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.86 2rgr n GLY 888 N 0.54 0.94 2.93 0.71 0.00 -0.82 -2.66 105.19 106.82 2rgr n GLY 888 Ca -0.12 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 2rgr n GLY 888 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rgr s ARG 889 N 1.66 1.57 -0.01 1.61 0.52 0.34 -4.64 118.95 120.00 2rgr s ARG 889 Ca 0.00 -0.28 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 2rgr s ARG 889 Cb 0.00 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 2rgr s ARG 889 CO 0.00 -0.22 -0.21 -1.50 0.02 0.00 0.00 175.30 173.38 2rgr s ILE 890 N 1.55 1.67 0.02 1.52 2.07 -1.26 -1.28 121.20 125.49 2rgr s ILE 890 Ca 0.02 -0.94 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 2rgr s ILE 890 Cb -0.13 -1.40 -0.02 0.00 0.13 0.00 0.00 42.46 41.05 2rgr s ILE 890 CO -0.07 0.43 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.75 2rgr s GLU 891 N -0.59 0.34 -0.15 3.50 0.41 -0.79 -4.98 118.70 116.44 2rgr s GLU 891 Ca 0.08 -0.56 -0.11 0.00 -0.41 0.00 0.00 54.97 53.97 2rgr s GLU 891 Cb -0.08 -0.03 -0.05 0.00 -1.78 0.00 0.00 34.13 32.19 2rgr s GLU 891 CO -0.00 -0.01 0.20 -1.14 -0.49 0.00 0.00 175.26 173.81 2rgr s GLN 892 N -1.27 4.00 -0.07 1.61 0.74 -1.26 -0.34 119.66 123.07 2rgr s GLN 892 Ca -0.12 -0.06 0.11 0.00 0.05 0.00 0.00 55.36 55.34 2rgr s GLN 892 Cb -0.09 -3.35 0.20 0.00 1.10 0.00 0.00 33.01 30.88 2rgr s GLN 892 CO -0.00 0.43 1.10 0.44 -0.55 0.00 0.00 175.29 176.71 2rgr n ILE 893 N 3.02 0.89 -0.17 -2.34 -5.35 0.26 -4.95 119.36 110.72 2rgr n ILE 893 Ca -0.16 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.06 2rgr n ILE 893 Cb 0.53 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 2rgr n ILE 893 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rgr n GLY 894 N -0.56 -2.86 3.59 3.28 0.00 -1.23 -4.93 105.19 102.47 2rgr n GLY 894 Ca 0.08 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2rgr n GLY 894 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rgr s ASP 895 N -0.17 5.31 -1.49 1.61 2.15 -1.26 -2.40 116.67 120.42 2rgr s ASP 895 Ca 0.00 1.60 -0.12 0.00 0.43 0.00 0.00 52.55 54.46 2rgr s ASP 895 Cb 0.00 -2.51 0.07 0.00 -0.30 0.00 0.00 42.92 40.18 2rgr s ASP 895 CO 0.00 -2.12 0.97 0.59 -0.17 0.00 0.00 175.17 174.45 2rgr n ASN 896 N 12.34 -4.56 -3.95 -0.34 3.02 -1.26 -4.90 115.26 115.61 2rgr n ASN 896 Ca 0.30 -0.76 -0.26 0.00 -0.03 0.00 0.00 54.58 53.83 2rgr n ASN 896 Cb 0.47 -4.01 -0.17 0.00 -0.61 0.00 0.00 39.78 35.46 2rgr n ASN 896 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2rgr s VAL 897 N -3.34 1.09 0.17 2.41 1.01 -1.01 -1.63 120.40 119.10 2rgr s VAL 897 Ca 0.58 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2rgr s VAL 897 Cb -0.29 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2rgr s VAL 897 CO 0.82 0.37 -0.09 -0.76 0.00 0.00 0.00 175.10 175.44 2rgr s LEU 898 N 1.31 3.00 -0.15 3.92 1.43 0.13 -0.58 118.68 127.74 2rgr s LEU 898 Ca -0.02 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2rgr s LEU 898 Cb -0.14 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.44 2rgr s LEU 898 CO -0.04 0.11 0.07 -0.70 0.23 0.00 0.00 176.35 176.02 2rgr s GLU 899 N -2.76 0.22 -0.06 1.70 2.12 0.54 0.77 118.70 121.24 2rgr s GLU 899 Ca 0.25 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.25 2rgr s GLU 899 Cb -0.09 -1.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.61 2rgr s GLU 899 CO 0.15 -0.59 0.72 0.42 -0.54 0.00 0.00 175.26 175.42 2rgr s ILE 900 N 2.06 5.03 0.00 -3.70 1.01 0.21 -1.88 121.20 123.94 2rgr s ILE 900 Ca 0.02 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2rgr s ILE 900 Cb -0.15 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2rgr s ILE 900 CO -0.08 0.24 0.23 0.35 0.00 0.00 0.00 174.94 175.69 2rgr n THR 901 N 3.79 0.00 -3.63 2.92 -2.24 -0.41 -1.45 114.28 113.27 2rgr n THR 901 Ca -0.01 -0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2rgr n THR 901 Cb 0.51 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 2rgr n THR 901 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2rgr s GLU 902 N -0.17 0.59 0.12 -0.78 2.56 -1.19 -4.26 118.70 115.56 2rgr s GLU 902 Ca 0.00 1.28 0.02 0.00 0.00 0.00 0.00 54.97 56.27 2rgr s GLU 902 Cb 0.00 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 2rgr s GLU 902 CO 0.00 -0.17 0.24 -0.51 -0.56 0.00 0.00 175.26 174.26 2rgr s LEU 903 N 2.36 4.28 0.77 2.70 1.43 -1.26 0.12 118.68 129.09 2rgr s LEU 903 Ca -0.07 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2rgr s LEU 903 Cb -0.09 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.27 2rgr s LEU 903 CO -0.19 0.10 0.80 -0.81 0.23 0.00 0.00 176.35 176.48 2rgr n PRO 904 N -0.23 0.27 -1.49 1.29 -0.04 -1.26 -4.65 135.00 128.89 2rgr n PRO 904 Ca -0.07 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 2rgr n PRO 904 Cb 0.53 -2.09 0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2rgr n PRO 904 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rgr s ALA 905 N -1.99 2.16 0.00 0.55 0.00 -1.26 -1.63 121.76 119.59 2rgr s ALA 905 Ca 0.69 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2rgr s ALA 905 Cb -0.32 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2rgr s ALA 905 CO 0.55 -1.83 0.00 0.54 0.00 0.00 0.00 175.76 175.02 2rgr n ARG 906 N -2.57 -0.68 -3.27 0.00 3.00 -1.26 -4.94 116.66 106.93 2rgr n ARG 906 Ca 0.14 0.17 -0.40 0.00 -0.01 0.00 0.00 57.85 57.75 2rgr n ARG 906 Cb 0.50 -4.33 -0.08 0.00 0.00 0.00 0.00 32.46 28.55 2rgr n ARG 906 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2rgr s THR 907 N -1.41 5.07 0.49 0.55 2.01 -0.64 -5.07 115.64 116.63 2rgr s THR 907 Ca 0.00 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.41 2rgr s THR 907 Cb 0.00 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 2rgr s THR 907 CO 0.00 -0.05 0.90 0.26 -0.69 0.00 0.00 174.62 175.04 2rgr s TRP 908 N 2.29 3.49 0.18 4.92 0.23 -1.26 -4.80 118.94 123.98 2rgr s TRP 908 Ca 0.18 1.24 -0.14 0.00 -2.03 0.00 0.00 56.10 55.36 2rgr s TRP 908 Cb -0.16 -2.62 0.07 0.00 0.03 0.00 0.00 33.47 30.80 2rgr s TRP 908 CO 0.11 -0.31 1.84 1.15 0.96 0.00 0.00 176.95 180.70 2rgr h THR 909 N 0.76 1.14 0.00 2.01 2.02 -1.66 -2.75 112.91 114.43 2rgr h THR 909 Ca -0.47 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2rgr h THR 909 Cb 1.19 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2rgr h THR 909 CO 0.62 0.14 -0.00 0.77 0.37 0.00 0.00 175.52 177.42 2rgr h SER 910 N 0.74 0.00 -0.09 4.18 4.64 -1.79 0.25 113.55 121.48 2rgr h SER 910 Ca 0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2rgr h SER 910 Cb -0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2rgr h SER 910 CO -0.04 0.00 -0.08 0.74 -0.87 0.00 0.00 176.83 176.57 2rgr h THR 911 N 0.00 1.36 -0.03 2.95 2.02 -1.76 -1.80 112.91 115.64 2rgr h THR 911 Ca -0.00 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 2rgr h THR 911 Cb 0.47 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2rgr h THR 911 CO 0.00 0.35 -0.33 0.40 0.37 0.00 0.00 175.52 176.31 2rgr h ILE 912 N -0.21 1.25 -0.02 3.11 1.08 -1.19 -3.00 117.51 118.53 2rgr h ILE 912 Ca 0.01 -1.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.29 2rgr h ILE 912 Cb 0.59 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 2rgr h ILE 912 CO 0.02 0.34 -0.01 0.50 -0.69 0.00 0.00 178.15 178.32 2rgr h LYS 913 N 0.05 0.04 -1.00 2.37 3.64 -0.43 -1.90 116.57 119.34 2rgr h LYS 913 Ca 0.01 -0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.58 2rgr h LYS 913 Cb 0.61 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.33 2rgr h LYS 913 CO 0.04 0.44 0.62 0.93 -2.27 0.00 0.00 179.45 179.21 2rgr h GLU 914 N -0.37 0.63 0.10 1.90 5.08 -1.30 -0.61 114.58 120.02 2rgr h GLU 914 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2rgr h GLU 914 Cb 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2rgr h GLU 914 CO 0.00 0.42 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.46 2rgr h TYR 915 N 0.65 -0.13 -0.77 4.33 5.03 -1.38 -1.72 116.97 122.99 2rgr h TYR 915 Ca 0.58 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.90 2rgr h TYR 915 Cb 1.06 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.34 2rgr h TYR 915 CO -0.00 0.23 0.51 -0.07 -1.32 0.00 0.00 178.16 177.50 2rgr h LEU 916 N -0.50 0.88 -1.39 2.82 3.38 -0.78 -0.87 115.31 118.85 2rgr h LEU 916 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2rgr h LEU 916 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2rgr h LEU 916 CO 0.02 0.64 0.27 -0.07 0.09 0.00 0.00 178.44 179.39 2rgr h LEU 917 N 1.04 0.61 -0.17 1.67 3.38 -1.05 -1.15 115.31 119.64 2rgr h LEU 917 Ca 0.28 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2rgr h LEU 917 Cb -0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2rgr h LEU 917 CO -0.06 0.50 -0.17 0.25 0.09 0.00 0.00 178.44 179.05 2rgr h LEU 918 N 0.70 0.45 -2.59 1.67 5.85 -0.78 -1.94 115.31 118.65 2rgr h LEU 918 Ca 0.18 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2rgr h LEU 918 Cb 0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2rgr h LEU 918 CO -0.03 0.83 0.05 1.23 -0.34 0.00 0.00 178.44 180.18 2rgr h GLY 919 N 0.07 0.00 0.00 3.75 0.00 -0.39 0.48 103.07 106.98 2rgr h GLY 919 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2rgr h GLY 919 CO 0.04 0.00 -0.27 -2.00 0.00 0.00 0.00 176.54 174.31 2rgr h LEU 920 N 0.00 0.00 0.00 3.11 5.85 -0.74 0.18 115.31 123.71 2rgr h LEU 920 Ca 0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2rgr h LEU 920 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2rgr h LEU 920 CO 0.00 0.68 -0.82 0.77 -0.34 0.00 0.00 178.44 178.72 2rgr h SER 921 N -1.00 0.00 -4.07 1.25 4.64 -1.27 -3.44 113.55 109.66 2rgr h SER 921 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2rgr h SER 921 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2rgr h SER 921 CO -0.01 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2rgr n GLY 922 N 1.20 -2.13 3.34 -0.77 0.00 0.17 -4.63 105.19 102.36 2rgr n GLY 922 Ca -0.01 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2rgr n GLY 922 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rgr s ASN 923 N -3.68 0.39 -0.31 1.61 2.47 0.16 -4.89 114.94 110.69 2rgr s ASN 923 Ca 0.00 -1.34 0.04 0.00 0.42 0.00 0.00 52.86 51.97 2rgr s ASN 923 Cb 0.00 0.49 0.51 0.00 -1.45 0.00 0.00 41.25 40.80 2rgr s ASN 923 CO 0.00 -1.00 1.65 0.47 -3.72 0.00 0.00 177.10 174.50 2rgr n ASP 924 N -0.61 3.67 0.00 -4.21 8.00 -1.26 -3.42 116.55 118.72 2rgr n ASP 924 Ca 0.02 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.38 2rgr n ASP 924 Cb 0.64 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2rgr n ASP 924 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2rgr n LYS 925 N -0.58 2.13 -4.03 -1.24 3.00 -1.26 -5.13 118.16 111.05 2rgr n LYS 925 Ca 0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.61 2rgr n LYS 925 Cb 1.32 -0.39 -0.11 0.00 0.00 0.00 0.00 35.03 35.85 2rgr n LYS 925 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2rgr s ILE 926 N -0.55 0.36 0.09 3.15 1.09 -1.22 -5.15 121.20 118.97 2rgr s ILE 926 Ca 0.00 -1.01 -0.19 0.00 -1.10 0.00 0.00 60.65 58.34 2rgr s ILE 926 Cb 0.00 -0.47 -0.07 0.00 -1.06 0.00 0.00 42.46 40.86 2rgr s ILE 926 CO 0.00 -0.43 0.59 -1.59 -0.10 0.00 0.00 174.94 173.41 2rgr s LYS 927 N -1.54 4.21 0.41 2.79 -2.85 -1.26 0.40 119.74 121.90 2rgr s LYS 927 Ca -0.12 0.76 -0.26 0.00 -1.00 0.00 0.00 55.97 55.34 2rgr s LYS 927 Cb -0.10 -3.20 -0.10 0.00 -2.06 0.00 0.00 37.83 32.37 2rgr s LYS 927 CO -0.00 0.61 1.34 -0.35 0.10 0.00 0.00 175.35 177.05 2rgr n PRO 928 N 1.59 2.12 0.00 1.78 -0.04 -1.26 -4.82 135.00 134.38 2rgr n PRO 928 Ca -0.09 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 2rgr n PRO 928 Cb 0.51 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2rgr n PRO 928 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2rgr n TRP 929 N -0.05 0.00 -3.92 0.54 4.27 0.37 -4.97 117.44 113.68 2rgr n TRP 929 Ca 0.05 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.31 2rgr n TRP 929 Cb 0.39 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.26 2rgr n TRP 929 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2rgr s ILE 930 N -0.19 5.06 -0.01 -1.67 -1.09 0.34 -4.71 121.20 118.93 2rgr s ILE 930 Ca 0.00 0.06 0.10 0.00 -2.23 0.00 0.00 60.65 58.58 2rgr s ILE 930 Cb 0.00 -3.27 -0.23 0.00 -1.58 0.00 0.00 42.46 37.38 2rgr s ILE 930 CO 0.00 0.48 0.80 0.50 -1.23 0.00 0.00 174.94 175.49 2rgr h LYS 931 N 6.38 0.02 -1.42 2.79 3.64 -1.68 -3.40 116.57 122.91 2rgr h LYS 931 Ca -0.41 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.04 2rgr h LYS 931 Cb 1.17 0.01 -0.28 0.00 -0.41 0.00 0.00 32.23 32.73 2rgr h LYS 931 CO 0.70 0.66 0.62 0.34 -2.27 0.00 0.00 179.45 179.50 2rgr s ASP 932 N -6.31 -0.30 0.03 4.20 3.68 -1.19 -5.00 116.67 111.79 2rgr s ASP 932 Ca -0.04 0.54 0.00 0.00 2.13 0.00 0.00 52.55 55.17 2rgr s ASP 932 Cb 0.08 0.53 -0.03 0.00 -1.45 0.00 0.00 42.92 42.05 2rgr s ASP 932 CO 0.82 -0.14 -0.04 -0.32 0.13 0.00 0.00 175.17 175.63 2rgr s MET 933 N -0.12 0.44 -0.01 4.34 -2.45 -1.26 -0.50 119.30 119.75 2rgr s MET 933 Ca 0.04 -0.83 -0.13 0.00 -1.25 0.00 0.00 55.69 53.52 2rgr s MET 933 Cb -0.04 0.07 0.02 0.00 1.25 0.00 0.00 34.83 36.13 2rgr s MET 933 CO -0.08 -0.05 0.27 -1.21 1.05 0.00 0.00 175.02 175.00 2rgr s GLU 934 N -2.25 0.63 -0.04 4.11 2.02 -0.61 -5.00 118.70 117.55 2rgr s GLU 934 Ca -0.08 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.67 2rgr s GLU 934 Cb -0.04 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 2rgr s GLU 934 CO -0.03 -0.17 -0.10 -1.21 0.02 0.00 0.00 175.26 173.77 2rgr s GLU 935 N -1.42 2.61 -0.02 1.61 2.02 -1.26 -1.33 118.70 120.91 2rgr s GLU 935 Ca -0.13 -0.64 0.15 0.00 0.02 0.00 0.00 54.97 54.36 2rgr s GLU 935 Cb -0.06 -2.49 0.26 0.00 0.10 0.00 0.00 34.13 31.95 2rgr s GLU 935 CO 0.03 0.64 1.11 1.04 0.02 0.00 0.00 175.26 178.10 2rgr n GLN 936 N 2.09 0.13 -1.66 1.61 6.02 -0.64 -5.01 117.38 119.93 2rgr n GLN 936 Ca -0.17 -1.65 -0.45 0.00 -0.01 0.00 0.00 57.00 54.72 2rgr n GLN 936 Cb 0.53 0.14 -0.02 0.00 1.02 0.00 0.00 30.24 31.90 2rgr n GLN 936 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2rgr n HIS 937 N 0.18 1.99 -0.04 1.08 8.25 -1.25 -4.73 115.22 120.70 2rgr n HIS 937 Ca -0.08 0.51 -0.09 0.00 -0.26 0.00 0.00 57.72 57.79 2rgr n HIS 937 Cb 0.95 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.62 2rgr n HIS 937 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2rgr n ASP 938 N 1.87 0.86 -2.30 0.41 -0.08 -1.26 -4.83 116.55 111.21 2rgr n ASP 938 Ca 0.11 0.14 -0.02 0.00 -1.51 0.00 0.00 54.79 53.51 2rgr n ASP 938 Cb 0.31 -0.34 0.07 0.00 2.34 0.00 0.00 41.12 43.51 2rgr n ASP 938 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2rgr n ASP 939 N -3.54 -0.82 -3.64 1.67 8.00 -1.26 -5.08 116.55 111.89 2rgr n ASP 939 Ca -0.16 -2.14 0.01 0.00 0.71 0.00 0.00 54.79 53.21 2rgr n ASP 939 Cb 0.54 0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 42.03 2rgr n ASP 939 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rgr s ASN 940 N -1.53 -0.08 0.06 -2.24 2.20 -1.26 -5.09 114.94 107.00 2rgr s ASN 940 Ca 0.11 -0.18 -0.10 0.00 -0.94 0.00 0.00 52.86 51.75 2rgr s ASN 940 Cb 0.34 0.21 -0.06 0.00 -2.00 0.00 0.00 41.25 39.74 2rgr s ASN 940 CO -0.09 -0.39 0.38 -0.63 -2.94 0.00 0.00 177.10 173.43 2rgr s ILE 941 N -2.56 5.11 -0.43 0.54 1.01 -1.26 -4.41 121.20 119.21 2rgr s ILE 941 Ca 0.14 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.31 2rgr s ILE 941 Cb 0.04 -3.64 0.18 0.00 0.01 0.00 0.00 42.46 39.05 2rgr s ILE 941 CO -0.03 0.34 0.70 -0.75 0.00 0.00 0.00 174.94 175.20 2rgr s LYS 942 N -1.77 0.81 -0.26 2.79 2.20 -1.23 -4.30 119.74 117.98 2rgr s LYS 942 Ca 0.31 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2rgr s LYS 942 Cb -0.14 0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.19 2rgr s LYS 942 CO 0.17 -1.11 0.17 -0.06 -0.36 0.00 0.00 175.35 174.15 2rgr s PHE 943 N 1.61 3.25 -0.28 4.03 0.08 -0.53 -1.62 117.98 124.52 2rgr s PHE 943 Ca 0.19 0.13 -0.08 0.00 0.12 0.00 0.00 56.93 57.29 2rgr s PHE 943 Cb -0.02 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 2rgr s PHE 943 CO -0.07 -0.07 0.09 0.42 -0.10 0.00 0.00 175.22 175.49 2rgr s ILE 944 N 1.42 4.30 -0.03 0.64 1.01 -0.44 -0.62 121.20 127.47 2rgr s ILE 944 Ca 0.07 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.43 2rgr s ILE 944 Cb -0.15 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2rgr s ILE 944 CO 0.08 0.21 -0.26 -0.63 0.00 0.00 0.00 174.94 174.34 2rgr s ILE 945 N 1.59 2.04 -0.01 2.92 1.01 0.23 -1.57 121.20 127.41 2rgr s ILE 945 Ca 0.05 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 59.68 2rgr s ILE 945 Cb -0.16 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2rgr s ILE 945 CO 0.04 0.57 -0.22 -0.89 0.00 0.00 0.00 174.94 174.44 2rgr s THR 946 N -0.44 2.39 0.01 2.92 2.01 0.35 0.17 115.64 123.06 2rgr s THR 946 Ca 0.05 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 61.01 2rgr s THR 946 Cb -0.11 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 2rgr s THR 946 CO 0.01 0.52 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.58 2rgr s LEU 947 N -0.85 2.10 0.51 4.42 1.43 -0.65 -1.87 118.68 123.77 2rgr s LEU 947 Ca 0.11 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2rgr s LEU 947 Cb -0.10 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.53 2rgr s LEU 947 CO 0.01 0.06 1.33 -0.94 0.23 0.00 0.00 176.35 177.04 2rgr s SER 948 N -0.69 5.59 0.44 2.29 1.04 -1.26 -4.75 113.70 116.36 2rgr s SER 948 Ca 0.02 2.69 0.19 0.00 0.48 0.00 0.00 55.95 59.33 2rgr s SER 948 Cb -0.06 -2.63 1.14 0.00 0.10 0.00 0.00 66.02 64.57 2rgr s SER 948 CO 0.00 -1.35 1.89 1.55 0.98 0.00 0.00 173.24 176.32 2rgr h PRO 949 N 1.77 0.33 0.16 4.02 0.13 -1.98 0.12 132.00 136.54 2rgr h PRO 949 Ca -0.50 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2rgr h PRO 949 Cb 1.28 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2rgr h PRO 949 CO 0.59 0.22 -0.17 0.93 -0.23 0.00 0.00 178.00 179.33 2rgr h GLU 950 N 0.34 -0.35 0.00 0.86 3.07 -2.01 -2.62 114.58 113.87 2rgr h GLU 950 Ca 0.41 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 2rgr h GLU 950 Cb 1.10 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2rgr h GLU 950 CO -0.13 -0.23 -0.11 0.93 -1.40 0.00 0.00 179.01 178.07 2rgr h GLU 951 N -0.37 0.00 -0.20 2.33 4.39 -1.26 -2.24 114.58 117.23 2rgr h GLU 951 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2rgr h GLU 951 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2rgr h GLU 951 CO -0.06 0.11 -0.47 0.52 -1.16 0.00 0.00 179.01 177.95 2rgr h MET 952 N 0.00 0.52 0.24 2.33 2.86 -0.83 -1.64 114.93 118.41 2rgr h MET 952 Ca -0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2rgr h MET 952 Cb 0.83 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2rgr h MET 952 CO 0.01 0.88 -0.12 0.00 1.06 0.00 0.00 176.91 178.75 2rgr h ALA 953 N 1.07 -0.33 -0.99 6.32 0.00 -1.03 -2.76 119.26 121.54 2rgr h ALA 953 Ca 0.02 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.96 2rgr h ALA 953 Cb 0.98 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2rgr h ALA 953 CO 0.09 -0.63 0.61 -0.22 0.00 0.00 0.00 179.25 179.10 2rgr h LYS 954 N -0.43 0.89 -0.43 0.00 3.64 -1.37 -2.70 116.57 116.17 2rgr h LYS 954 Ca -0.03 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2rgr h LYS 954 Cb 0.33 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2rgr h LYS 954 CO 0.06 0.59 -0.18 1.15 -2.27 0.00 0.00 179.45 178.80 2rgr h THR 955 N 0.92 1.27 -0.64 1.00 2.02 -1.10 -2.06 112.91 114.31 2rgr h THR 955 Ca 0.51 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 2rgr h THR 955 Cb 0.58 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2rgr h THR 955 CO -0.30 0.44 0.27 0.03 0.37 0.00 0.00 175.52 176.34 2rgr h ARG 956 N 0.74 0.93 -0.51 6.66 3.08 -1.20 0.60 114.38 124.67 2rgr h ARG 956 Ca 0.11 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2rgr h ARG 956 Cb 0.70 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2rgr h ARG 956 CO 0.05 0.75 0.03 -0.22 -1.07 0.00 0.00 179.97 179.51 2rgr h LYS 957 N 0.92 0.89 0.00 0.04 3.64 -1.32 -2.78 116.57 117.96 2rgr h LYS 957 Ca 0.22 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2rgr h LYS 957 Cb 0.15 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2rgr h LYS 957 CO -0.02 0.90 -0.44 -0.89 -2.27 0.00 0.00 179.45 176.73 2rgr n ILE 958 N -4.33 0.32 0.00 2.00 5.41 -0.82 -5.04 119.36 116.89 2rgr n ILE 958 Ca 0.01 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2rgr n ILE 958 Cb 0.30 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 2rgr n ILE 958 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2rgr n GLY 959 N 1.37 0.87 0.12 7.39 0.00 0.21 -4.30 105.19 110.85 2rgr n GLY 959 Ca 0.04 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 2rgr n GLY 959 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2rgr h PHE 960 N 0.00 0.60 -0.29 1.61 -1.00 -1.85 -2.18 116.94 113.84 2rgr h PHE 960 Ca 0.00 -0.43 -0.18 0.00 2.81 0.00 0.00 57.97 60.18 2rgr h PHE 960 Cb 0.00 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2rgr h PHE 960 CO 0.00 1.32 -0.51 1.88 -1.61 0.00 0.00 178.31 179.39 2rgr h TYR 961 N -0.29 1.03 0.04 -0.55 -1.99 -1.93 -1.93 116.97 111.35 2rgr h TYR 961 Ca -0.15 -0.35 -0.00 0.00 2.00 0.00 0.00 58.73 60.23 2rgr h TYR 961 Cb 1.67 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 40.20 2rgr h TYR 961 CO 0.19 1.17 -0.02 0.93 -0.00 0.00 0.00 178.16 180.42 2rgr h GLU 962 N 0.65 -0.05 0.00 4.88 3.07 -1.82 -0.67 114.58 120.64 2rgr h GLU 962 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2rgr h GLU 962 Cb 1.11 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 2rgr h GLU 962 CO 0.11 0.27 -0.18 -0.09 -1.40 0.00 0.00 179.01 177.73 2rgr h ARG 963 N -0.37 0.00 -0.67 2.33 2.43 -1.43 -2.95 114.38 113.71 2rgr h ARG 963 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rgr h ARG 963 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2rgr h ARG 963 CO 0.01 0.18 0.00 1.19 -1.51 0.00 0.00 179.97 179.84 2rgr n PHE 964 N -3.39 1.32 -3.36 2.20 3.72 -0.73 -4.96 117.46 112.28 2rgr n PHE 964 Ca -0.00 -0.58 -0.18 0.00 -0.05 0.00 0.00 57.45 56.64 2rgr n PHE 964 Cb 0.38 -0.17 0.07 0.00 -0.94 0.00 0.00 39.48 38.82 2rgr n PHE 964 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2rgr n LYS 965 N 1.27 -6.41 -0.30 -1.08 4.76 -1.03 -4.92 118.16 110.46 2rgr n LYS 965 Ca 0.25 0.71 0.08 0.00 -2.87 0.00 0.00 58.31 56.49 2rgr n LYS 965 Cb 0.81 -5.39 0.18 0.00 -1.84 0.00 0.00 35.03 28.79 2rgr n LYS 965 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rgr n LEU 966 N -4.11 2.79 -3.91 -0.35 4.77 -0.29 -4.83 117.00 111.08 2rgr n LEU 966 Ca -0.09 -3.32 -0.28 0.00 -0.03 0.00 0.00 56.01 52.30 2rgr n LEU 966 Cb 0.59 -0.49 -0.17 0.00 -2.33 0.00 0.00 43.42 41.03 2rgr n LEU 966 CO 0.54 0.90 -0.43 -0.63 -1.33 0.00 0.00 177.39 176.44 2rgr s ILE 967 N -2.98 1.16 0.04 -0.08 1.01 -1.26 -1.95 121.20 117.14 2rgr s ILE 967 Ca 0.36 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2rgr s ILE 967 Cb 0.32 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2rgr s ILE 967 CO 0.01 0.21 -0.14 -0.94 0.00 0.00 0.00 174.94 174.08 2rgr s SER 968 N 1.62 1.69 0.46 3.58 1.04 -0.70 -4.97 113.70 116.43 2rgr s SER 968 Ca 0.02 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 2rgr s SER 968 Cb -0.15 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 2rgr s SER 968 CO -0.08 0.03 0.80 -2.84 0.98 0.00 0.00 173.24 172.13 2rgr s PRO 969 N -1.17 3.63 -0.10 4.02 0.02 -1.26 0.11 135.00 140.25 2rgr s PRO 969 Ca 0.01 0.34 -0.02 0.00 0.02 0.00 0.00 61.00 61.36 2rgr s PRO 969 Cb -0.08 -2.36 0.03 0.00 0.02 0.00 0.00 34.50 32.12 2rgr s PRO 969 CO 0.01 -0.17 0.00 0.42 -0.33 0.00 0.00 177.00 176.93 2rgr s ILE 970 N -2.64 0.48 -0.11 2.83 1.01 -0.26 -4.86 121.20 117.65 2rgr s ILE 970 Ca 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 2rgr s ILE 970 Cb -0.10 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2rgr s ILE 970 CO 0.41 0.17 -0.07 -0.55 0.00 0.00 0.00 174.94 174.90 2rgr s SER 971 N 1.92 4.57 -0.34 3.58 0.15 -1.26 -0.83 113.70 121.49 2rgr s SER 971 Ca 0.04 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.65 2rgr s SER 971 Cb -0.13 -1.43 0.53 0.00 -1.71 0.00 0.00 66.02 63.27 2rgr s SER 971 CO -0.06 0.27 1.56 0.18 1.20 0.00 0.00 173.24 176.38 2rgr n LEU 972 N 2.87 4.80 -0.70 3.45 4.77 -0.39 -4.59 117.00 127.21 2rgr n LEU 972 Ca -0.18 -3.84 0.11 0.00 -0.03 0.00 0.00 56.01 52.07 2rgr n LEU 972 Cb 0.53 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 41.28 2rgr n LEU 972 CO 0.29 1.30 0.76 0.23 -1.33 0.00 0.00 177.39 178.64 2rgr n MET 973 N -1.10 1.92 -3.10 3.23 2.81 -1.26 -4.24 117.12 115.39 2rgr n MET 973 Ca 0.40 -1.38 -0.18 0.00 -1.81 0.00 0.00 57.70 54.74 2rgr n MET 973 Cb 1.13 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 32.19 2rgr n MET 973 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2rgr n ASN 974 N 0.61 -0.03 -4.32 7.83 4.05 -1.26 -5.03 115.26 117.11 2rgr n ASN 974 Ca 0.17 -3.05 -0.47 0.00 0.45 0.00 0.00 54.58 51.68 2rgr n ASN 974 Cb 0.41 -0.10 -0.03 0.00 1.23 0.00 0.00 39.78 41.29 2rgr n ASN 974 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2rgr s MET 975 N -1.53 3.44 0.07 1.20 -1.94 -1.25 0.02 119.30 119.31 2rgr s MET 975 Ca 0.36 -2.28 0.08 0.00 -1.71 0.00 0.00 55.69 52.13 2rgr s MET 975 Cb 0.29 -4.38 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 2rgr s MET 975 CO -0.09 -1.30 -0.18 0.08 -0.01 0.00 0.00 175.02 173.52 2rgr s VAL 976 N 0.50 2.80 0.06 -6.03 1.01 -1.26 -0.75 120.40 116.74 2rgr s VAL 976 Ca 0.14 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 2rgr s VAL 976 Cb -0.15 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.08 2rgr s VAL 976 CO -0.06 0.24 0.64 0.00 0.00 0.00 0.00 175.10 175.91 2rgr s ALA 977 N -1.02 -1.67 -0.04 5.51 0.00 -0.82 -4.76 121.76 118.97 2rgr s ALA 977 Ca 0.16 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2rgr s ALA 977 Cb -0.11 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 2rgr s ALA 977 CO 0.07 -0.58 1.43 -0.06 0.00 0.00 0.00 175.76 176.62 2rgr s PHE 978 N -2.56 2.67 1.01 0.00 0.08 -0.50 -1.42 117.98 117.27 2rgr s PHE 978 Ca -0.05 0.72 -0.17 0.00 0.12 0.00 0.00 56.93 57.55 2rgr s PHE 978 Cb -0.01 -3.69 0.24 0.00 -0.57 0.00 0.00 43.02 39.00 2rgr s PHE 978 CO -0.02 -2.62 1.03 -0.40 -0.10 0.00 0.00 175.22 173.10 2rgr n ASP 979 N 5.91 -1.30 0.25 1.36 5.68 -0.07 -0.84 116.55 127.54 2rgr n ASP 979 Ca 0.14 -1.20 0.08 0.00 -0.50 0.00 0.00 54.79 53.32 2rgr n ASP 979 Cb 0.44 -0.88 0.62 0.00 -1.14 0.00 0.00 41.12 40.15 2rgr n ASP 979 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 2rgr h PRO 980 N 0.00 0.00 -0.51 0.11 0.11 -1.95 0.15 132.00 129.90 2rgr h PRO 980 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2rgr h PRO 980 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2rgr h PRO 980 CO 0.25 0.09 0.00 0.72 -0.21 0.00 0.00 178.00 178.84 2rgr n HIS 981 N -4.30 0.56 -1.14 0.65 8.25 -1.26 -4.88 115.22 113.09 2rgr n HIS 981 Ca -0.03 -0.23 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 2rgr n HIS 981 Cb 0.17 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 2rgr n HIS 981 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rgr n GLY 982 N 0.67 0.74 3.67 -1.41 0.00 0.04 -5.00 105.19 103.90 2rgr n GLY 982 Ca 0.10 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2rgr n GLY 982 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rgr s LYS 983 N -1.97 4.10 0.28 1.61 1.02 -1.26 -4.78 119.74 118.75 2rgr s LYS 983 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 2rgr s LYS 983 Cb 0.00 -3.52 -0.13 0.00 -0.52 0.00 0.00 37.83 33.66 2rgr s LYS 983 CO 0.00 0.09 1.45 -0.89 -0.92 0.00 0.00 175.35 175.07 2rgr n ILE 984 N 4.18 1.22 -3.87 2.17 5.41 -1.26 -0.89 119.36 126.31 2rgr n ILE 984 Ca -0.14 -0.30 -0.12 0.00 1.00 0.00 0.00 62.75 63.19 2rgr n ILE 984 Cb 0.52 -1.67 -0.13 0.00 -0.71 0.00 0.00 39.64 37.65 2rgr n ILE 984 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2rgr s LYS 985 N -0.79 0.16 -0.36 0.38 2.20 -0.50 -4.87 119.74 115.96 2rgr s LYS 985 Ca 0.64 -0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 56.03 2rgr s LYS 985 Cb -0.58 0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 35.80 2rgr s LYS 985 CO 0.52 -0.03 0.24 0.21 -0.36 0.00 0.00 175.35 175.94 2rgr s LYS 986 N -0.38 3.31 0.04 4.03 2.20 -1.26 -1.94 119.74 125.74 2rgr s LYS 986 Ca -0.04 -0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 54.57 2rgr s LYS 986 Cb -0.03 -3.82 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 2rgr s LYS 986 CO 0.00 -0.53 0.69 0.71 -0.36 0.00 0.00 175.35 175.86 2rgr s TYR 987 N 1.69 3.73 -2.20 4.03 1.51 0.07 -4.98 117.35 121.20 2rgr s TYR 987 Ca 0.05 1.36 0.23 0.00 -1.01 0.00 0.00 57.07 57.71 2rgr s TYR 987 Cb -0.18 -2.71 0.11 0.00 -0.11 0.00 0.00 41.96 39.07 2rgr s TYR 987 CO 0.10 0.34 1.17 0.09 -1.11 0.00 0.00 175.55 176.14 2rgr n ASN 988 N 2.63 2.12 -3.79 2.29 3.02 -1.26 -4.33 115.26 115.94 2rgr n ASN 988 Ca -0.05 -1.56 -0.09 0.00 -0.03 0.00 0.00 54.58 52.85 2rgr n ASN 988 Cb 0.50 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 2rgr n ASN 988 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rgr s SER 989 N -2.38 -0.21 0.31 6.41 1.04 -1.26 -4.99 113.70 112.62 2rgr s SER 989 Ca 0.21 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.15 2rgr s SER 989 Cb 0.19 0.57 0.51 0.00 0.10 0.00 0.00 66.02 67.38 2rgr s SER 989 CO 0.51 -1.05 1.73 0.58 0.98 0.00 0.00 173.24 175.99 2rgr h VAL 990 N 2.24 1.30 0.00 5.02 2.07 -1.95 -3.07 116.25 121.85 2rgr h VAL 990 Ca -0.29 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 65.71 2rgr h VAL 990 Cb 1.26 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2rgr h VAL 990 CO 0.38 0.43 -0.43 0.78 0.02 0.00 0.00 177.57 178.74 2rgr h ASN 991 N 0.18 0.00 -0.12 0.57 2.35 -1.96 -2.12 115.58 114.48 2rgr h ASN 991 Ca 0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2rgr h ASN 991 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2rgr h ASN 991 CO 0.06 0.40 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.10 2rgr h GLU 992 N 0.00 0.39 0.12 0.81 4.81 -1.94 0.45 114.58 119.22 2rgr h GLU 992 Ca -0.01 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2rgr h GLU 992 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2rgr h GLU 992 CO 0.05 0.47 -0.06 0.82 -0.73 0.00 0.00 179.01 179.56 2rgr h ILE 993 N 0.38 1.05 -0.60 2.32 2.04 -1.54 -3.04 117.51 118.11 2rgr h ILE 993 Ca 0.08 -1.20 0.10 0.00 1.00 0.00 0.00 64.86 64.84 2rgr h ILE 993 Cb 0.34 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 2rgr h ILE 993 CO 0.02 0.26 0.19 0.25 0.00 0.00 0.00 178.15 178.87 2rgr h LEU 994 N -0.77 0.14 0.15 1.44 6.46 -1.14 -1.66 115.31 119.92 2rgr h LEU 994 Ca -0.02 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2rgr h LEU 994 Cb 0.55 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2rgr h LEU 994 CO 0.03 0.08 -0.12 0.28 -0.62 0.00 0.00 178.44 178.09 2rgr h SER 995 N 0.35 -0.31 -0.62 1.25 0.02 -1.04 -0.31 113.55 112.90 2rgr h SER 995 Ca 0.31 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.39 2rgr h SER 995 Cb 0.41 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 2rgr h SER 995 CO -0.34 -0.19 0.19 -0.08 -1.14 0.00 0.00 176.83 175.27 2rgr h GLU 996 N -0.28 0.33 0.16 3.45 4.81 -1.29 -0.89 114.58 120.87 2rgr h GLU 996 Ca -0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2rgr h GLU 996 Cb 0.26 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2rgr h GLU 996 CO -0.01 0.22 -0.29 0.35 -0.73 0.00 0.00 179.01 178.55 2rgr h PHE 997 N 0.34 -0.78 -0.41 0.92 3.57 -1.06 -2.99 116.94 116.53 2rgr h PHE 997 Ca 0.32 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.92 2rgr h PHE 997 Cb 0.45 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.42 2rgr h PHE 997 CO -0.20 -0.40 -0.27 -0.92 -2.23 0.00 0.00 178.31 174.29 2rgr h TYR 998 N -0.53 -0.72 -0.11 0.41 3.20 0.29 0.42 116.97 119.93 2rgr h TYR 998 Ca 0.02 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2rgr h TYR 998 Cb 0.54 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2rgr h TYR 998 CO -0.24 -0.34 -0.19 1.88 -1.64 0.00 0.00 178.16 177.63 2rgr h TYR 999 N -0.20 0.19 0.19 -3.82 0.05 -1.29 0.32 116.97 112.41 2rgr h TYR 999 Ca 0.19 -0.03 -0.31 0.00 0.05 0.00 0.00 58.73 58.64 2rgr h TYR 999 Cb 0.50 -0.05 0.03 0.00 1.01 0.00 0.00 36.73 38.21 2rgr h TYR 999 CO -0.50 0.37 -1.35 0.28 -1.05 0.00 0.00 178.16 175.91 2rgr h VAL 1000N 0.17 1.34 0.00 -2.88 2.07 -1.27 -2.94 116.25 112.75 2rgr h VAL 1000Ca 0.03 -2.74 -0.05 0.00 0.82 0.00 0.00 66.70 64.76 2rgr h VAL 1000Cb 0.44 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2rgr h VAL 1000CO 0.03 0.82 -0.26 -0.09 0.02 0.00 0.00 177.57 178.09 2rgr h ARG 1001N 0.16 0.00 0.10 1.57 1.12 0.41 -2.27 114.38 115.47 2rgr h ARG 1001Ca -0.20 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.38 2rgr h ARG 1001Cb 2.04 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 32.03 2rgr h ARG 1001CO 0.25 0.26 -1.20 1.25 -3.11 0.00 0.00 179.97 177.41 2rgr h LEU 1002N 0.00 0.76 -1.00 3.80 5.85 -0.45 -2.98 115.31 121.30 2rgr h LEU 1002Ca -0.00 -0.70 -0.08 0.00 0.84 0.00 0.00 57.88 57.94 2rgr h LEU 1002Cb 0.49 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2rgr h LEU 1002CO 0.03 1.51 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.47 2rgr h GLU 1003N 0.24 0.61 0.00 1.25 4.81 -1.31 -2.51 114.58 117.67 2rgr h GLU 1003Ca -0.16 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2rgr h GLU 1003Cb 1.87 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2rgr h GLU 1003CO 0.22 0.70 0.00 1.88 -0.73 0.00 0.00 179.01 181.09 2rgr h TYR 1004N 0.56 0.00 -0.28 0.92 -1.99 -1.45 -2.18 116.97 112.54 2rgr h TYR 1004Ca 0.10 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.65 2rgr h TYR 1004Cb 0.51 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.24 2rgr h TYR 1004CO 0.02 0.00 -0.53 1.88 -0.00 0.00 0.00 178.16 179.53 2rgr h TYR 1005N 0.00 1.05 0.09 4.88 0.05 -1.28 -1.42 116.97 120.33 2rgr h TYR 1005Ca 0.00 -0.37 0.01 0.00 0.05 0.00 0.00 58.73 58.42 2rgr h TYR 1005Cb 0.69 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2rgr h TYR 1005CO 0.00 1.18 -0.13 1.96 -1.05 0.00 0.00 178.16 180.13 2rgr h GLN 1006N 0.65 -0.25 -0.82 4.88 1.08 -1.40 -1.26 115.11 117.98 2rgr h GLN 1006Ca 0.02 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.41 2rgr h GLN 1006Cb 1.13 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 28.51 2rgr h GLN 1006CO 0.12 -0.17 0.33 0.87 -0.95 0.00 0.00 178.83 179.02 2rgr h LYS 1007N -0.26 0.40 0.20 1.46 1.57 -1.33 0.57 116.57 119.17 2rgr h LYS 1007Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2rgr h LYS 1007Cb 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2rgr h LYS 1007CO -0.06 0.27 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.90 2rgr h ARG 1008N 0.41 -0.25 -0.66 3.15 2.43 -0.98 0.94 114.38 119.42 2rgr h ARG 1008Ca 0.48 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.81 2rgr h ARG 1008Cb 0.82 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.31 2rgr h ARG 1008CO -0.47 0.06 -0.02 -0.22 -1.51 0.00 0.00 179.97 177.80 2rgr h LYS 1009N -0.58 0.09 -0.61 0.20 3.64 -0.67 0.14 116.57 118.77 2rgr h LYS 1009Ca -0.03 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2rgr h LYS 1009Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2rgr h LYS 1009CO 0.04 0.06 0.03 -0.44 -2.27 0.00 0.00 179.45 176.87 2rgr h ASP 1010N 0.09 1.03 -0.50 4.20 3.32 -0.82 -1.27 116.42 122.48 2rgr h ASP 1010Ca 0.35 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2rgr h ASP 1010Cb 0.58 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2rgr h ASP 1010CO -0.59 1.06 0.26 -0.74 -1.72 0.00 0.00 179.24 177.51 2rgr h HIS 1011N 0.97 0.70 -0.13 4.55 2.76 0.53 -2.14 115.15 122.39 2rgr h HIS 1011Ca 0.18 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 2rgr h HIS 1011Cb 0.52 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2rgr h HIS 1011CO 0.04 0.53 -0.45 0.52 -1.30 0.00 0.00 177.93 177.27 2rgr h MET 1012N 0.66 0.32 0.00 5.26 2.86 -0.56 -2.98 114.93 120.50 2rgr h MET 1012Ca 0.17 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 2rgr h MET 1012Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2rgr h MET 1012CO -0.03 0.71 -0.80 0.66 1.06 0.00 0.00 176.91 178.52 2rgr h SER 1013N 0.26 0.00 -0.16 1.22 4.64 -1.16 -2.70 113.55 115.65 2rgr h SER 1013Ca 0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2rgr h SER 1013Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2rgr h SER 1013CO 0.07 0.80 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.68 2rgr h GLU 1014N 0.00 0.49 -0.10 4.77 4.81 -1.25 -0.60 114.58 122.70 2rgr h GLU 1014Ca -0.01 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2rgr h GLU 1014Cb 1.51 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2rgr h GLU 1014CO 0.10 0.58 -0.34 0.00 -0.73 0.00 0.00 179.01 178.62 2rgr h ARG 1015N 0.46 0.40 -0.98 1.92 2.47 -1.44 -2.01 114.38 115.20 2rgr h ARG 1015Ca 0.09 -0.30 0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2rgr h ARG 1015Cb 0.42 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.75 2rgr h ARG 1015CO 0.02 0.93 0.65 -0.07 0.56 0.00 0.00 179.97 182.06 2rgr h LEU 1016N -0.05 1.12 -0.66 3.04 3.38 -1.40 -2.00 115.31 118.73 2rgr h LEU 1016Ca -0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2rgr h LEU 1016Cb 0.97 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2rgr h LEU 1016CO 0.07 0.80 0.40 -0.61 0.09 0.00 0.00 178.44 179.20 2rgr h GLN 1017N 1.32 0.76 0.00 1.13 4.15 -1.04 -0.64 115.11 120.78 2rgr h GLN 1017Ca 0.37 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 2rgr h GLN 1017Cb -0.13 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.39 2rgr h GLN 1017CO -0.09 0.50 -0.12 -1.49 -1.93 0.00 0.00 178.83 175.71 2rgr h TRP 1018N 0.78 0.00 0.11 3.99 6.55 -0.66 -2.30 115.95 124.42 2rgr h TRP 1018Ca 0.27 0.00 -0.27 0.00 0.95 0.00 0.00 58.89 59.84 2rgr h TRP 1018Cb 0.05 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 2rgr h TRP 1018CO -0.05 0.12 -1.39 0.93 -1.05 0.00 0.00 178.44 177.00 2rgr h GLU 1019N 0.00 0.23 -0.89 0.49 5.08 -0.67 -1.04 114.58 117.78 2rgr h GLU 1019Ca -0.00 -0.40 0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2rgr h GLU 1019Cb 0.48 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.76 2rgr h GLU 1019CO 0.02 1.19 0.42 0.28 -1.00 0.00 0.00 179.01 179.92 2rgr h VAL 1020N -0.33 0.56 0.54 3.13 2.07 -1.15 0.20 116.25 121.28 2rgr h VAL 1020Ca -0.30 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2rgr h VAL 1020Cb 1.74 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2rgr h VAL 1020CO 0.05 0.09 -0.28 -0.08 0.02 0.00 0.00 177.57 177.37 2rgr h GLU 1021N 0.49 -0.72 -0.36 1.57 4.81 -1.41 -0.13 114.58 118.83 2rgr h GLU 1021Ca 0.53 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.85 2rgr h GLU 1021Cb 0.94 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 2rgr h GLU 1021CO -0.47 -0.48 -0.34 -0.22 -0.73 0.00 0.00 179.01 176.77 2rgr h LYS 1022N -0.75 -0.15 -0.60 1.92 3.64 0.06 -2.48 116.57 118.21 2rgr h LYS 1022Ca -0.07 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.43 2rgr h LYS 1022Cb 0.59 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 2rgr h LYS 1022CO 0.11 -0.10 0.12 1.88 -2.27 0.00 0.00 179.45 179.19 2rgr h TYR 1023N -0.16 0.18 -0.92 1.91 0.99 -0.55 -1.43 116.97 117.00 2rgr h TYR 1023Ca 0.06 0.04 0.17 0.00 2.00 0.00 0.00 58.73 61.00 2rgr h TYR 1023Cb 0.32 0.01 -0.10 0.00 1.00 0.00 0.00 36.73 37.96 2rgr h TYR 1023CO -0.78 -0.05 0.50 0.77 -0.00 0.00 0.00 178.16 178.60 2rgr h SER 1024N 0.24 0.61 1.35 3.88 0.02 -0.58 0.46 113.55 119.53 2rgr h SER 1024Ca 0.32 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.25 2rgr h SER 1024Cb 0.48 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2rgr h SER 1024CO -0.42 0.23 -0.67 -0.26 -1.14 0.00 0.00 176.83 174.57 2rgr h PHE 1025N 0.66 0.00 -0.24 3.45 0.04 -0.91 -1.18 116.94 118.76 2rgr h PHE 1025Ca 0.52 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.24 2rgr h PHE 1025Cb 0.78 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2rgr h PHE 1025CO -0.06 0.51 -0.02 1.96 -0.60 0.00 0.00 178.31 180.09 2rgr h GLN 1026N 0.00 0.44 0.53 1.51 4.20 -0.59 0.12 115.11 121.31 2rgr h GLN 1026Ca -0.03 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2rgr h GLN 1026Cb 1.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 2rgr h GLN 1026CO 0.06 0.64 -0.32 0.28 -0.67 0.00 0.00 178.83 178.81 2rgr h VAL 1027N 0.19 0.34 -0.90 -0.54 2.07 -0.89 0.21 116.25 116.74 2rgr h VAL 1027Ca 0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 2rgr h VAL 1027Cb 0.45 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 2rgr h VAL 1027CO 0.02 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.69 2rgr h LYS 1028N -0.81 0.53 0.80 1.57 3.64 -1.25 0.28 116.57 121.34 2rgr h LYS 1028Ca -0.06 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2rgr h LYS 1028Cb 0.66 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2rgr h LYS 1028CO 0.06 0.35 -0.39 0.35 -2.27 0.00 0.00 179.45 177.56 2rgr h PHE 1029N 0.55 -1.00 0.30 1.91 3.57 0.31 0.41 116.94 123.00 2rgr h PHE 1029Ca 0.46 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2rgr h PHE 1029Cb 0.95 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2rgr h PHE 1029CO -0.00 -0.62 -0.31 0.82 -2.23 0.00 0.00 178.31 175.97 2rgr h ILE 1030N -1.11 0.35 -0.92 1.41 1.08 -0.10 -2.73 117.51 115.48 2rgr h ILE 1030Ca -0.11 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.53 2rgr h ILE 1030Cb 0.83 0.35 -0.17 0.00 -3.07 0.00 0.00 36.82 34.76 2rgr h ILE 1030CO 0.18 0.00 -0.27 0.50 -0.69 0.00 0.00 178.15 177.87 2rgr h LYS 1031N -0.65 -0.01 -0.22 2.37 3.64 -0.40 0.18 116.57 121.48 2rgr h LYS 1031Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2rgr h LYS 1031Cb 0.60 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2rgr h LYS 1031CO -0.07 -0.01 -0.06 0.52 -2.27 0.00 0.00 179.45 177.56 2rgr h MET 1032N -0.01 -0.01 -0.04 1.90 2.86 -0.62 -2.26 114.93 116.74 2rgr h MET 1032Ca 0.41 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2rgr h MET 1032Cb 0.65 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2rgr h MET 1032CO -0.94 -0.01 0.02 0.82 1.06 0.00 0.00 176.91 177.86 2rgr h ILE 1033N -0.01 1.15 -0.05 -1.22 2.04 -0.78 0.94 117.51 119.59 2rgr h ILE 1033Ca 0.11 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2rgr h ILE 1033Cb 0.17 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2rgr h ILE 1033CO -0.23 0.12 -0.46 0.40 0.00 0.00 0.00 178.15 177.98 2rgr h ILE 1034N -0.11 0.00 -0.05 -0.67 2.04 -0.42 0.73 117.51 119.03 2rgr h ILE 1034Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2rgr h ILE 1034Cb 0.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2rgr h ILE 1034CO -0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2rgr n GLU 1035N -4.99 1.12 -3.34 2.37 0.28 -0.88 -4.91 120.64 110.28 2rgr n GLU 1035Ca -0.06 -0.18 -0.16 0.00 -0.16 0.00 0.00 57.16 56.60 2rgr n GLU 1035Cb 0.33 -1.06 0.08 0.00 1.43 0.00 0.00 31.44 32.21 2rgr n GLU 1035CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2rgr n LYS 1036N -0.38 -4.14 0.00 3.44 5.02 0.25 -4.94 118.16 117.42 2rgr n LYS 1036Ca 0.03 0.85 0.09 0.00 -2.02 0.00 0.00 58.31 57.26 2rgr n LYS 1036Cb 0.05 -5.81 -0.06 0.00 -0.02 0.00 0.00 35.03 29.18 2rgr n LYS 1036CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2rgr n GLU 1037N -3.64 1.14 -3.70 1.97 1.02 0.32 -4.92 120.64 112.83 2rgr n GLU 1037Ca -0.17 -0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 56.46 2rgr n GLU 1037Cb 0.64 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 30.56 2rgr n GLU 1037CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2rgr s LEU 1038N -2.62 0.05 0.16 -4.62 2.96 -1.10 -4.96 118.68 108.56 2rgr s LEU 1038Ca 0.11 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.66 2rgr s LEU 1038Cb 0.15 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 2rgr s LEU 1038CO 0.65 -0.20 -0.05 0.42 -1.32 0.00 0.00 176.35 175.84 2rgr s THR 1039N 1.84 3.49 0.00 3.68 -4.23 -1.26 -3.81 115.64 115.34 2rgr s THR 1039Ca -0.04 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2rgr s THR 1039Cb -0.11 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2rgr s THR 1039CO -0.09 -0.07 0.00 1.33 -0.54 0.00 0.00 174.62 175.25 2rgr n VAL 1040N 0.06 0.00 -1.58 2.29 0.24 -1.26 -4.93 118.33 113.15 2rgr n VAL 1040Ca -0.11 0.00 -0.48 0.00 -2.04 0.00 0.00 64.34 61.71 2rgr n VAL 1040Cb 0.55 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.34 2rgr n VAL 1040CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2rgr n THR 1041N -2.29 0.39 -2.03 3.34 -2.24 -1.26 -1.45 114.28 108.74 2rgr n THR 1041Ca 0.00 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2rgr n THR 1041Cb 0.28 -1.91 -0.00 0.00 -2.10 0.00 0.00 70.33 66.60 2rgr n THR 1041CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2rgr n ASN 1042N 8.76 -1.54 -4.34 3.42 4.13 -1.26 -5.06 115.26 119.37 2rgr n ASN 1042Ca 0.31 -0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.23 2rgr n ASN 1042Cb 0.30 -0.97 -0.14 0.00 -1.54 0.00 0.00 39.78 37.43 2rgr n ASN 1042CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2rgr s LYS 1043N -4.09 3.37 0.62 3.52 1.02 -0.53 -5.11 119.74 118.55 2rgr s LYS 1043Ca 0.00 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 2rgr s LYS 1043Cb 0.00 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.46 2rgr s LYS 1043CO 0.00 0.04 0.45 -0.35 -0.92 0.00 0.00 175.35 174.57 2rgr n PRO 1044N 4.05 0.40 -0.22 -1.68 -0.04 -1.26 -4.65 135.00 131.60 2rgr n PRO 1044Ca -0.18 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2rgr n PRO 1044Cb 0.52 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2rgr n PRO 1044CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2rgr h ARG 1045N 0.01 -0.12 0.21 0.54 2.43 -1.99 -0.84 114.38 114.62 2rgr h ARG 1045Ca -0.45 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2rgr h ARG 1045Cb 1.39 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2rgr h ARG 1045CO 0.45 -0.08 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.82 2rgr h ASN 1046N -0.12 -0.24 0.00 -3.80 2.35 -1.98 -1.88 115.58 109.91 2rgr h ASN 1046Ca 0.26 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2rgr h ASN 1046Cb 0.55 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2rgr h ASN 1046CO -0.70 -0.15 0.26 0.00 -1.65 0.00 0.00 177.43 175.19 2rgr h ALA 1047N -1.84 1.24 0.06 -0.83 0.00 -1.90 0.57 119.26 116.56 2rgr h ALA 1047Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2rgr h ALA 1047Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2rgr h ALA 1047CO 0.05 -0.24 -1.59 0.97 0.00 0.00 0.00 179.25 178.44 2rgr h ILE 1048N 0.00 0.80 0.00 0.00 2.10 -1.14 -3.26 117.51 116.00 2rgr h ILE 1048Ca 0.00 -2.27 0.00 0.00 1.08 0.00 0.00 64.86 63.67 2rgr h ILE 1048Cb 0.53 2.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 2rgr h ILE 1048CO 0.00 0.60 -0.57 0.16 -1.08 0.00 0.00 178.15 177.25 2rgr h ILE 1049N -0.48 0.00 0.00 2.19 3.07 -0.41 -2.55 117.51 119.34 2rgr h ILE 1049Ca -0.38 -0.94 -0.01 0.00 1.55 0.00 0.00 64.86 65.08 2rgr h ILE 1049Cb 1.66 1.65 -0.00 0.00 -0.27 0.00 0.00 36.82 39.85 2rgr h ILE 1049CO -0.06 0.00 -0.05 -0.61 -1.05 0.00 0.00 178.15 176.38 2rgr h GLN 1050N 0.00 0.00 0.00 0.16 -0.00 -0.11 -2.60 115.11 112.56 2rgr h GLN 1050Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 2rgr h GLN 1050Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 2rgr h GLN 1050CO 0.00 0.05 -0.49 1.49 0.00 0.00 0.00 178.83 179.88 2rgr h GLU 1051N 0.00 0.00 -0.07 1.69 4.81 -1.56 -3.04 114.58 116.41 2rgr h GLU 1051Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2rgr h GLU 1051Cb 0.98 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.37 2rgr h GLU 1051CO 0.01 0.18 -0.89 -0.07 -0.73 0.00 0.00 179.01 177.51 2rgr h LEU 1052N 0.00 0.83 -0.19 1.64 3.38 -1.33 -3.01 115.31 116.63 2rgr h LEU 1052Ca -0.02 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.38 2rgr h LEU 1052Cb 1.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2rgr h LEU 1052CO 0.02 1.40 -0.00 -0.08 0.09 0.00 0.00 178.44 179.87 2rgr h GLU 1053N 0.42 0.06 -0.50 1.13 4.81 -1.51 -2.62 114.58 116.38 2rgr h GLU 1053Ca -0.08 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2rgr h GLU 1053Cb 1.52 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.79 2rgr h GLU 1053CO 0.17 0.04 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.35 2rgr h ASN 1054N 0.06 -0.79 0.00 1.04 -0.26 -1.58 -1.86 115.58 112.19 2rgr h ASN 1054Ca 0.09 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2rgr h ASN 1054Cb 0.11 0.43 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2rgr h ASN 1054CO -0.15 -0.25 0.00 0.18 -1.06 0.00 0.00 177.43 176.15 2rgr n LEU 1055N -5.41 0.63 0.00 1.61 4.77 -1.00 -4.83 117.00 112.77 2rgr n LEU 1055Ca 0.04 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2rgr n LEU 1055Cb 0.32 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2rgr n LEU 1055CO 0.07 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2rgr n GLY 1056N 0.14 2.59 3.51 -0.72 0.00 -0.70 -4.99 105.19 105.03 2rgr n GLY 1056Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 46.02 45.38 2rgr n GLY 1056CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rgr n PHE 1057N 0.00 1.21 -1.40 1.61 3.72 -1.11 -4.93 117.46 116.57 2rgr n PHE 1057Ca 0.00 1.07 -0.30 0.00 -0.05 0.00 0.00 57.45 58.17 2rgr n PHE 1057Cb 0.00 -2.09 0.11 0.00 -0.94 0.00 0.00 39.48 36.56 2rgr n PHE 1057CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2rgr s PRO 1058N 1.58 1.79 0.64 -1.08 0.04 -1.26 -4.54 135.00 132.16 2rgr s PRO 1058Ca 0.95 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.75 2rgr s PRO 1058Cb -1.35 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 31.40 2rgr s PRO 1058CO 0.68 -1.86 0.88 1.03 0.04 0.00 0.00 177.00 177.78 2rgr s ARG 1059N -5.05 2.09 -0.13 4.56 0.52 0.18 -4.88 118.95 116.25 2rgr s ARG 1059Ca 0.62 -1.03 -0.06 0.00 -0.52 0.00 0.00 55.73 54.73 2rgr s ARG 1059Cb -0.16 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.94 2rgr s ARG 1059CO 0.55 -1.09 0.29 -0.06 0.02 0.00 0.00 175.30 175.02 2rgr s PHE 1060N -2.94 -0.42 0.00 -0.53 0.08 -0.76 -2.76 117.98 110.65 2rgr s PHE 1060Ca 0.62 0.95 0.00 0.00 0.12 0.00 0.00 56.93 58.62 2rgr s PHE 1060Cb -0.07 0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2rgr s PHE 1060CO 0.41 -0.28 0.00 0.27 -0.10 0.00 0.00 175.22 175.52 2rgr n ASN 1061N 4.39 0.00 0.08 1.36 6.94 -1.17 -0.45 115.26 126.42 2rgr n ASN 1061Ca -0.22 -0.88 -0.02 0.00 -0.02 0.00 0.00 54.58 53.44 2rgr n ASN 1061Cb 0.53 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 38.20 2rgr n ASN 1061CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2rgr h LYS 1062N 0.00 0.28 -0.68 -3.83 1.57 -1.93 -3.15 116.57 108.84 2rgr h LYS 1062Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2rgr h LYS 1062Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2rgr h LYS 1062CO 0.00 0.59 0.00 -0.85 -0.57 0.00 0.00 179.45 178.62 2rgr n GLU 1063N -4.08 2.61 -0.14 3.15 0.28 -1.26 -4.94 120.64 116.25 2rgr n GLU 1063Ca -0.01 -2.45 0.00 0.00 -0.16 0.00 0.00 57.16 54.54 2rgr n GLU 1063Cb 0.43 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.76 2rgr n GLU 1063CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rgr n GLY 1064N 1.56 0.65 3.71 -1.84 0.00 -1.19 -5.06 105.19 103.01 2rgr n GLY 1064Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2rgr n GLY 1064CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rgr s LYS 1065N -0.77 4.33 0.73 1.61 2.20 -1.26 -4.77 119.74 121.81 2rgr s LYS 1065Ca 0.00 0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 2rgr s LYS 1065Cb 0.00 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2rgr s LYS 1065CO 0.00 0.07 1.12 -1.25 -0.36 0.00 0.00 175.35 174.93 2rgr s PRO 1066N 0.88 2.37 -0.15 4.03 0.04 -1.26 -3.03 135.00 137.89 2rgr s PRO 1066Ca 0.28 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2rgr s PRO 1066Cb -0.16 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2rgr s PRO 1066CO 0.12 -1.59 0.37 -0.47 0.04 0.00 0.00 177.00 175.47 2rgr s TYR 1067N -2.48 -0.46 -0.55 0.56 5.04 -1.11 -4.95 117.35 113.40 2rgr s TYR 1067Ca 0.66 1.07 0.09 0.00 -2.44 0.00 0.00 57.07 56.45 2rgr s TYR 1067Cb -0.21 0.17 -0.06 0.00 0.35 0.00 0.00 41.96 42.21 2rgr s TYR 1067CO 0.48 -0.25 0.44 0.66 -1.34 0.00 0.00 175.55 175.54 2rgr n TYR 1068N 3.49 0.00 -3.85 4.97 4.02 -1.26 -0.64 117.16 123.89 2rgr n TYR 1068Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2rgr n TYR 1068Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 2rgr n TYR 1068CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2rgr n GLY 1069N 1.08 4.46 3.58 2.72 0.00 -1.26 -4.84 105.19 110.92 2rgr n GLY 1069Ca 0.02 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 2rgr n GLY 1069CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rgr s SER 1070N -0.70 5.36 0.00 1.61 1.04 -1.26 -5.01 113.70 114.74 2rgr s SER 1070Ca 0.00 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2rgr s SER 1070Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2rgr s SER 1070CO 0.00 -2.17 0.00 0.18 0.98 0.00 0.00 173.24 172.23 2rgr n LEU 1109N 12.30 0.00 0.05 2.42 4.77 -1.26 -5.29 117.00 130.00 2rgr n LEU 1109Ca 0.26 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2rgr n LEU 1109Cb 0.50 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2rgr n LEU 1109CO 0.69 0.00 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.28 2rgr n TYR 1110N -1.26 0.79 0.00 -1.77 0.53 -1.26 -4.91 117.16 109.28 2rgr n TYR 1110Ca 0.00 0.24 0.00 0.00 -1.02 0.00 0.00 57.90 57.12 2rgr n TYR 1110Cb 0.00 -0.93 0.00 0.00 -1.03 0.00 0.00 39.34 37.38 2rgr n TYR 1110CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2rgr n GLY 1111N 1.29 1.12 3.68 2.72 0.00 -1.26 -4.04 105.19 108.69 2rgr n GLY 1111Ca -0.05 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2rgr n GLY 1111CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rgr s THR 1112N -2.56 1.97 -0.40 2.61 -4.23 0.41 -4.20 115.64 109.23 2rgr s THR 1112Ca 0.00 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2rgr s THR 1112Cb 0.00 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.33 2rgr s THR 1112CO 0.00 0.00 1.30 -1.22 -0.54 0.00 0.00 174.62 174.16 2rgr n TYR 1113N -1.10 1.29 0.58 3.99 4.01 -1.26 -1.83 117.16 122.84 2rgr n TYR 1113Ca -0.06 -0.81 0.11 0.00 -0.16 0.00 0.00 57.90 56.99 2rgr n TYR 1113Cb 0.66 -0.47 0.45 0.00 -0.31 0.00 0.00 39.34 39.67 2rgr n TYR 1113CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2rgr n GLU 1114N -0.04 0.12 0.10 -0.72 4.07 -1.26 -0.18 120.64 122.73 2rgr n GLU 1114Ca 0.22 0.26 0.12 0.00 -0.06 0.00 0.00 57.16 57.70 2rgr n GLU 1114Cb 0.92 -1.69 0.45 0.00 -0.06 0.00 0.00 31.44 31.06 2rgr n GLU 1114CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2rgr n TYR 1115N -1.91 0.75 -0.03 4.31 4.11 -1.26 -1.44 117.16 121.68 2rgr n TYR 1115Ca 0.04 0.25 -0.03 0.00 -0.00 0.00 0.00 57.90 58.16 2rgr n TYR 1115Cb 0.28 -0.91 -0.05 0.00 -0.00 0.00 0.00 39.34 38.67 2rgr n TYR 1115CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2rgr n LEU 1116N -2.14 0.54 0.13 -3.48 4.77 -0.32 -4.64 117.00 111.86 2rgr n LEU 1116Ca 0.04 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2rgr n LEU 1116Cb 0.33 0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.35 2rgr n LEU 1116CO 0.25 0.24 -0.15 -0.07 -1.33 0.00 0.00 177.39 176.33 2rgr h LEU 1117N 0.00 0.77 -2.15 2.23 3.38 -0.66 -3.25 115.31 115.63 2rgr h LEU 1117Ca -0.17 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.03 2rgr h LEU 1117Cb 1.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2rgr h LEU 1117CO 0.00 1.61 0.29 1.23 0.09 0.00 0.00 178.44 181.66 2rgr h GLY 1118N 0.50 0.00 -3.84 0.83 0.00 -1.47 -3.41 103.07 95.68 2rgr h GLY 1118Ca -0.21 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.61 2rgr h GLY 1118CO 0.25 0.00 0.51 1.06 0.00 0.00 0.00 176.54 178.36 2rgr s MET 1119N -4.20 4.58 0.00 4.80 -1.94 -1.23 -5.03 119.30 116.28 2rgr s MET 1119Ca -0.04 1.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.83 2rgr s MET 1119Cb 0.10 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.78 2rgr s MET 1119CO 0.34 0.12 0.00 0.54 -0.01 0.00 0.00 175.02 176.01 2rgr n ARG 1120N 1.17 2.74 0.00 2.03 1.74 -1.26 -4.95 116.66 118.13 2rgr n ARG 1120Ca -0.01 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2rgr n ARG 1120Cb 0.44 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.03 2rgr n ARG 1120CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2rgr n ILE 1121N -0.09 0.00 0.28 0.55 2.08 -1.26 -2.46 119.36 118.46 2rgr n ILE 1121Ca 0.00 -0.06 0.12 0.00 0.56 0.00 0.00 62.75 63.37 2rgr n ILE 1121Cb 0.00 0.62 0.59 0.00 -0.75 0.00 0.00 39.64 40.09 2rgr n ILE 1121CO 0.00 0.00 0.00 -0.50 0.56 0.00 0.00 176.55 176.61 2rgr h TRP 1122N 0.59 0.00 -0.56 1.39 4.06 -2.03 -3.25 115.95 116.15 2rgr h TRP 1122Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 2rgr h TRP 1122Cb 0.54 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 2rgr h TRP 1122CO 0.00 0.00 0.04 1.03 -3.56 0.00 0.00 178.44 175.95 2rgr h SER 1123N 0.00 0.94 -0.75 -3.49 0.87 -1.85 -3.37 113.55 105.90 2rgr h SER 1123Ca 0.00 -0.29 -0.49 0.00 -1.23 0.00 0.00 61.79 59.78 2rgr h SER 1123Cb 0.18 -0.25 -0.12 0.00 -0.44 0.00 0.00 62.40 61.76 2rgr h SER 1123CO 0.00 0.99 0.91 0.18 -0.53 0.00 0.00 176.83 178.38 2rgr n LEU 1124N -4.28 6.70 -4.34 2.23 4.77 -1.23 -4.60 117.00 116.25 2rgr n LEU 1124Ca 0.02 -4.05 -0.24 0.00 -0.03 0.00 0.00 56.01 51.71 2rgr n LEU 1124Cb 0.31 -1.33 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 2rgr n LEU 1124CO 0.43 1.82 -0.52 0.42 -1.33 0.00 0.00 177.39 178.21 2rgr s THR 1125N -0.91 1.92 0.37 -5.08 -4.23 -1.26 -4.96 115.64 101.50 2rgr s THR 1125Ca 0.61 -1.77 0.13 0.00 -1.18 0.00 0.00 61.69 59.49 2rgr s THR 1125Cb 0.31 -1.80 0.35 0.00 1.34 0.00 0.00 72.50 72.71 2rgr s THR 1125CO -0.13 -0.13 1.80 0.50 -0.54 0.00 0.00 174.62 176.13 2rgr h LYS 1126N 3.66 0.52 -0.26 3.99 3.64 -1.96 -1.34 116.57 124.82 2rgr h LYS 1126Ca -0.46 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 2rgr h LYS 1126Cb 1.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2rgr h LYS 1126CO 0.44 0.35 -0.20 0.93 -2.27 0.00 0.00 179.45 178.69 2rgr h GLU 1127N 0.54 0.48 0.03 1.90 3.07 -1.94 0.11 114.58 118.77 2rgr h GLU 1127Ca 0.54 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2rgr h GLU 1127Cb 1.16 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2rgr h GLU 1127CO -0.28 0.66 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.88 2rgr h ARG 1128N 0.43 -0.04 -0.97 2.33 2.43 -1.62 -1.98 114.38 114.96 2rgr h ARG 1128Ca 0.07 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.48 2rgr h ARG 1128Cb 0.60 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.04 2rgr h ARG 1128CO 0.04 0.63 0.54 -0.92 -1.51 0.00 0.00 179.97 178.76 2rgr h TYR 1129N -0.83 0.93 0.34 2.20 3.20 -1.12 0.62 116.97 122.30 2rgr h TYR 1129Ca -0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2rgr h TYR 1129Cb 0.70 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2rgr h TYR 1129CO 0.17 0.06 -0.16 1.96 -1.64 0.00 0.00 178.16 178.55 2rgr h GLN 1130N 0.56 -0.43 -0.87 1.82 1.08 -0.84 -1.98 115.11 114.44 2rgr h GLN 1130Ca 0.61 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 58.04 2rgr h GLN 1130Cb 1.14 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 28.56 2rgr h GLN 1130CO -0.48 -0.11 0.39 -0.22 -0.95 0.00 0.00 178.83 177.46 2rgr h LYS 1131N -0.85 0.44 0.76 1.46 3.64 -0.23 -0.17 116.57 121.62 2rgr h LYS 1131Ca -0.05 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2rgr h LYS 1131Cb 0.53 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2rgr h LYS 1131CO 0.08 0.29 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.11 2rgr h LEU 1132N 0.45 -0.86 -1.73 5.20 3.38 0.11 -2.47 115.31 119.39 2rgr h LEU 1132Ca 0.52 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.92 2rgr h LEU 1132Cb 0.92 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2rgr h LEU 1132CO -0.48 -0.59 0.92 -0.07 0.09 0.00 0.00 178.44 178.31 2rgr h LEU 1133N -1.07 0.15 0.11 1.67 4.07 -0.49 -0.64 115.31 119.10 2rgr h LEU 1133Ca -0.10 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 2rgr h LEU 1133Cb 0.78 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2rgr h LEU 1133CO 0.17 -0.03 -0.05 0.50 -1.08 0.00 0.00 178.44 177.95 2rgr h LYS 1134N 0.10 -0.14 0.00 1.13 3.64 -0.86 -2.05 116.57 118.38 2rgr h LYS 1134Ca 0.70 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 60.03 2rgr h LYS 1134Cb 2.48 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 34.32 2rgr h LYS 1134CO -0.16 0.32 -0.28 1.96 -2.27 0.00 0.00 179.45 179.02 2rgr h GLN 1135N -0.68 0.00 0.03 1.90 4.20 -0.75 -2.29 115.11 117.53 2rgr h GLN 1135Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2rgr h GLN 1135Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2rgr h GLN 1135CO 0.02 0.28 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.23 2rgr h LYS 1136N 0.00 -0.04 0.00 1.46 3.64 -1.13 0.21 116.57 120.71 2rgr h LYS 1136Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rgr h LYS 1136Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2rgr h LYS 1136CO 0.04 0.31 0.00 0.94 -2.27 0.00 0.00 179.45 178.47 2rgr n GLN 1137N -4.94 0.31 -0.06 1.90 7.27 -0.78 -1.04 117.38 120.04 2rgr n GLN 1137Ca -0.08 0.09 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 2rgr n GLN 1137Cb 0.20 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.19 2rgr n GLN 1137CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2rgr n GLU 1138N -1.27 0.67 0.06 3.69 1.02 -0.88 -2.61 120.64 121.32 2rgr n GLU 1138Ca 0.10 -0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.31 2rgr n GLU 1138Cb 0.16 -1.54 0.49 0.00 -0.02 0.00 0.00 31.44 30.52 2rgr n GLU 1138CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2rgr n LYS 1139N -2.59 0.15 -0.07 3.49 3.00 0.04 -1.42 118.16 120.77 2rgr n LYS 1139Ca -0.21 0.12 -0.10 0.00 -0.00 0.00 0.00 58.31 58.12 2rgr n LYS 1139Cb 0.93 -1.68 -0.08 0.00 0.00 0.00 0.00 35.03 34.20 2rgr n LYS 1139CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2rgr h GLU 1140N 0.00 0.00 -0.85 1.64 5.08 -1.17 -3.10 114.58 116.17 2rgr h GLU 1140Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2rgr h GLU 1140Cb 0.64 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2rgr h GLU 1140CO 0.00 0.65 0.52 1.15 -1.00 0.00 0.00 179.01 180.33 2rgr h THR 1141N -1.00 0.99 -0.64 1.13 2.02 -1.54 -0.69 112.91 113.18 2rgr h THR 1141Ca -0.04 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 66.92 2rgr h THR 1141Cb 0.71 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 2rgr h THR 1141CO -0.02 0.17 0.27 -0.08 0.37 0.00 0.00 175.52 176.22 2rgr h GLU 1142N 0.91 0.45 -0.48 6.66 4.81 -1.38 -0.94 114.58 124.61 2rgr h GLU 1142Ca 0.39 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 2rgr h GLU 1142Cb 0.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2rgr h GLU 1142CO -0.20 0.30 -0.07 1.25 -0.73 0.00 0.00 179.01 179.56 2rgr h LEU 1143N 0.47 0.90 -0.61 1.64 5.85 -1.28 -2.64 115.31 119.64 2rgr h LEU 1143Ca 0.32 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2rgr h LEU 1143Cb 0.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2rgr h LEU 1143CO -0.30 1.03 0.40 -0.33 -0.34 0.00 0.00 178.44 178.90 2rgr h GLU 1144N 0.75 0.80 0.08 1.25 5.08 -0.46 -1.77 114.58 120.32 2rgr h GLU 1144Ca 0.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2rgr h GLU 1144Cb 0.61 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2rgr h GLU 1144CO 0.04 0.53 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.63 2rgr h ASN 1145N 0.82 -0.10 -0.71 1.42 2.35 -1.17 -2.95 115.58 115.24 2rgr h ASN 1145Ca 0.22 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 56.02 2rgr h ASN 1145Cb -0.09 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.23 2rgr h ASN 1145CO -0.05 -0.02 0.36 0.25 -1.65 0.00 0.00 177.43 176.33 2rgr h LEU 1146N -0.16 0.48 -1.75 1.61 5.85 -1.24 -0.98 115.31 119.12 2rgr h LEU 1146Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2rgr h LEU 1146Cb 0.13 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2rgr h LEU 1146CO 0.02 0.28 0.00 -0.07 -0.34 0.00 0.00 178.44 178.33 2rgr h LEU 1147N 0.62 0.00 -0.11 2.25 3.38 -1.26 -2.73 115.31 117.47 2rgr h LEU 1147Ca 0.35 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 2rgr h LEU 1147Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2rgr h LEU 1147CO -0.26 0.00 -0.49 0.11 0.09 0.00 0.00 178.44 177.90 2rgr h LYS 1148N 0.00 0.52 -6.56 1.13 1.79 -1.00 -3.45 116.57 108.99 2rgr h LYS 1148Ca 0.00 -0.41 -0.52 0.00 -2.18 0.00 0.00 60.65 57.53 2rgr h LYS 1148Cb 0.34 0.08 0.05 0.00 -1.58 0.00 0.00 32.23 31.11 2rgr h LYS 1148CO 0.00 1.04 1.06 -0.51 -1.08 0.00 0.00 179.45 179.97 2rgr s LEU 1149N -8.61 4.39 0.00 2.94 1.43 -1.03 -5.01 118.68 112.79 2rgr s LEU 1149Ca -0.13 2.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 2rgr s LEU 1149Cb 0.06 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.87 2rgr s LEU 1149CO 0.82 -0.98 1.05 -1.54 0.23 0.00 0.00 176.35 175.94 2rgr n SER 1150N 5.01 0.28 -0.09 2.29 3.41 -1.26 -4.86 113.62 118.40 2rgr n SER 1150Ca 0.17 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.14 2rgr n SER 1150Cb 0.37 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 2rgr n SER 1150CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rgr h ALA 1151N -1.60 0.42 -0.41 7.33 0.00 -1.93 -1.91 119.26 121.15 2rgr h ALA 1151Ca -0.34 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2rgr h ALA 1151Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2rgr h ALA 1151CO 0.26 0.45 0.14 0.87 0.00 0.00 0.00 179.25 180.97 2rgr h LYS 1152N 0.44 0.59 -0.46 0.00 1.57 -1.94 -0.48 116.57 116.30 2rgr h LYS 1152Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2rgr h LYS 1152Cb 0.88 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2rgr h LYS 1152CO 0.07 0.51 0.12 -0.44 -0.57 0.00 0.00 179.45 179.15 2rgr h ASP 1153N 0.59 0.69 -0.08 0.86 5.19 -1.84 -0.46 116.42 121.36 2rgr h ASP 1153Ca 0.14 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2rgr h ASP 1153Cb 0.16 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2rgr h ASP 1153CO -0.01 0.73 -0.14 0.40 -3.12 0.00 0.00 179.24 177.10 2rgr h ILE 1154N 0.61 1.40 -0.87 0.35 2.04 -1.19 -2.55 117.51 117.29 2rgr h ILE 1154Ca 0.15 -1.40 0.14 0.00 1.00 0.00 0.00 64.86 64.74 2rgr h ILE 1154Cb 0.30 2.13 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 2rgr h ILE 1154CO -0.00 0.39 0.47 -0.25 0.00 0.00 0.00 178.15 178.76 2rgr h TRP 1155N -0.22 0.83 -0.46 1.37 2.91 -1.01 -0.98 115.95 118.39 2rgr h TRP 1155Ca 0.01 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.96 2rgr h TRP 1155Cb 0.70 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 2rgr h TRP 1155CO 0.11 0.23 -0.11 -0.97 -1.03 0.00 0.00 178.44 176.66 2rgr h ASN 1156N 0.68 0.83 -0.60 2.65 -1.24 -1.04 -0.64 115.58 116.23 2rgr h ASN 1156Ca 0.46 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 2rgr h ASN 1156Cb 0.62 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2rgr h ASN 1156CO -0.34 0.97 0.31 0.74 -1.29 0.00 0.00 177.43 177.81 2rgr h THR 1157N 0.76 1.20 -0.17 -3.57 2.02 -0.76 -0.66 112.91 111.72 2rgr h THR 1157Ca 0.12 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.63 2rgr h THR 1157Cb 0.62 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2rgr h THR 1157CO 0.04 0.23 -0.38 0.44 0.37 0.00 0.00 175.52 176.22 2rgr h ASP 1158N 0.88 0.64 -0.91 4.18 5.19 -0.85 -2.65 116.42 122.89 2rgr h ASP 1158Ca 0.22 -0.56 0.08 0.00 -0.62 0.00 0.00 57.03 56.14 2rgr h ASP 1158Cb 0.08 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.34 2rgr h ASP 1158CO -0.03 1.08 0.57 -0.07 -3.12 0.00 0.00 179.24 177.67 2rgr h LEU 1159N 0.22 0.88 -0.01 1.55 3.38 -0.77 0.28 115.31 120.83 2rgr h LEU 1159Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rgr h LEU 1159Cb 0.99 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2rgr h LEU 1159CO 0.08 0.54 0.00 0.11 0.09 0.00 0.00 178.44 179.26 2rgr h LYS 1160N 1.00 0.02 -0.25 1.13 1.57 -1.12 0.97 116.57 119.88 2rgr h LYS 1160Ca 0.41 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2rgr h LYS 1160Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2rgr h LYS 1160CO -0.20 0.29 0.08 0.00 -0.57 0.00 0.00 179.45 179.05 2rgr h ALA 1161N 0.73 1.68 -0.21 3.86 0.00 -1.22 -1.65 119.26 122.45 2rgr h ALA 1161Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2rgr h ALA 1161Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2rgr h ALA 1161CO 0.00 0.26 -0.03 0.35 0.00 0.00 0.00 179.25 179.83 2rgr h PHE 1162N 0.35 0.44 -0.56 0.00 3.04 -0.68 -2.01 116.94 117.53 2rgr h PHE 1162Ca 0.09 -0.09 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2rgr h PHE 1162Cb 0.11 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.44 2rgr h PHE 1162CO 0.00 0.62 0.20 0.93 -2.02 0.00 0.00 178.31 178.04 2rgr h GLU 1163N 0.13 0.38 0.93 1.11 5.08 0.11 0.48 114.58 122.79 2rgr h GLU 1163Ca 0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2rgr h GLU 1163Cb 0.46 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2rgr h GLU 1163CO 0.02 0.25 -0.47 0.28 -1.00 0.00 0.00 179.01 178.08 2rgr h VAL 1164N 0.39 0.04 -1.09 3.13 2.07 -1.42 -2.83 116.25 116.53 2rgr h VAL 1164Ca 0.27 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.09 2rgr h VAL 1164Cb 0.31 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 2rgr h VAL 1164CO -0.27 0.00 0.72 1.23 0.02 0.00 0.00 177.57 179.26 2rgr h GLY 1165N -1.28 1.03 2.00 2.17 0.00 -0.55 -0.15 103.07 106.29 2rgr h GLY 1165Ca -0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2rgr h GLY 1165CO 0.19 -0.15 -0.35 -1.82 0.00 0.00 0.00 176.54 174.41 2rgr h TYR 1166N 0.29 0.00 -0.19 5.60 3.20 0.05 -0.18 116.97 125.74 2rgr h TYR 1166Ca 0.62 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.29 2rgr h TYR 1166Cb 1.75 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.03 2rgr h TYR 1166CO -0.00 0.35 -0.65 0.37 -1.64 0.00 0.00 178.16 176.58 2rgr h GLN 1167N 0.00 0.78 -0.37 1.82 5.75 -0.78 -1.47 115.11 120.83 2rgr h GLN 1167Ca -0.00 -0.58 -0.13 0.00 -0.15 0.00 0.00 58.65 57.79 2rgr h GLN 1167Cb 0.91 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2rgr h GLN 1167CO 0.05 1.20 -0.27 0.93 -2.65 0.00 0.00 178.83 178.08 2rgr h GLU 1168N 0.51 0.78 0.02 1.69 5.08 -1.36 -1.76 114.58 119.55 2rgr h GLU 1168Ca -0.03 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2rgr h GLU 1168Cb 1.28 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2rgr h GLU 1168CO 0.14 0.96 -0.15 0.35 -1.00 0.00 0.00 179.01 179.31 2rgr h PHE 1169N 0.67 -0.40 -0.76 4.33 3.57 -0.99 -1.91 116.94 121.45 2rgr h PHE 1169Ca 0.08 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2rgr h PHE 1169Cb 0.80 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 2rgr h PHE 1169CO 0.04 -0.23 0.42 -0.07 -2.23 0.00 0.00 178.31 176.24 2rgr h LEU 1170N -0.27 0.59 -1.34 0.59 3.38 -1.08 -1.52 115.31 115.66 2rgr h LEU 1170Ca 0.04 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2rgr h LEU 1170Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2rgr h LEU 1170CO -0.13 0.34 -0.29 1.56 0.09 0.00 0.00 178.44 180.01 2rgr h GLN 1171N 0.72 0.00 0.19 1.13 4.20 -0.98 -0.92 115.11 119.44 2rgr h GLN 1171Ca 0.37 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.77 2rgr h GLN 1171Cb 0.33 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.13 2rgr h GLN 1171CO -0.24 0.29 -1.39 0.00 -0.67 0.00 0.00 178.83 176.82 2rgr h ARG 1172N 0.00 0.40 -0.18 1.46 3.08 -0.87 -2.55 114.38 115.71 2rgr h ARG 1172Ca -0.00 -0.68 0.01 0.00 0.07 0.00 0.00 59.98 59.38 2rgr h ARG 1172Cb 0.64 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2rgr h ARG 1172CO 0.04 1.32 0.09 0.22 -1.07 0.00 0.00 179.97 180.56 2rgr h ASP 1173N 0.11 0.13 -0.63 7.04 3.58 -0.79 -0.86 116.42 125.00 2rgr h ASP 1173Ca -0.20 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.19 2rgr h ASP 1173Cb 2.07 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 43.08 2rgr h ASP 1173CO 0.23 0.10 0.16 0.00 -2.88 0.00 0.00 179.24 176.85 2rgr h ALA 1174N 1.09 0.83 0.00 -0.78 0.00 -1.29 -2.59 119.26 116.53 2rgr h ALA 1174Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2rgr h ALA 1174Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2rgr h ALA 1174CO -0.05 0.54 0.00 -1.91 0.00 0.00 0.00 179.25 177.82 2rgr n GLU 1175N -4.33 0.19 -3.61 0.00 2.13 -0.96 -3.53 120.64 110.54 2rgr n GLU 1175Ca 0.04 0.44 -0.40 0.00 0.66 0.00 0.00 57.16 57.90 2rgr n GLU 1175Cb 0.24 -1.88 -0.08 0.00 0.27 0.00 0.00 31.44 30.00 2rgr n GLU 1175CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rgr s ALA 1176N -3.34 3.62 0.00 4.31 0.00 -0.36 -5.07 121.76 120.93 2rgr s ALA 1176Ca 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 51.96 48.92 2rgr s ALA 1176Cb 0.09 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2rgr s ALA 1176CO 0.37 -2.08 0.00 -2.13 0.00 0.00 0.00 175.76 171.92