#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrq n ASP 2 N 0.00 0.54 -4.25 1.69 5.68 -1.26 -4.72 116.55 114.23 1mrq n ASP 2 Ca 0.00 -0.77 -0.32 0.00 -0.50 0.00 0.00 54.79 53.20 1mrq n ASP 2 Cb 0.00 0.41 -0.17 0.00 -1.14 0.00 0.00 41.12 40.22 1mrq n ASP 2 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1mrq s SER 3 N -0.41 3.18 0.00 -1.12 0.15 -1.26 -4.74 113.70 109.50 1mrq s SER 3 Ca 0.00 -0.52 0.08 0.00 0.70 0.00 0.00 55.95 56.21 1mrq s SER 3 Cb 0.00 -1.28 0.34 0.00 -1.71 0.00 0.00 66.02 63.37 1mrq s SER 3 CO 0.00 0.18 1.23 2.29 1.20 0.00 0.00 173.24 178.15 1mrq n LYS 4 N 3.36 0.01 -0.20 5.44 2.85 -1.26 -1.58 118.16 126.78 1mrq n LYS 4 Ca -0.18 0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.54 1mrq n LYS 4 Cb 0.53 -1.50 0.25 0.00 -0.65 0.00 0.00 35.03 33.66 1mrq n LYS 4 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1mrq n TYR 5 N -1.48 0.54 -1.69 5.58 4.02 -1.26 -4.85 117.16 118.02 1mrq n TYR 5 Ca 0.02 -0.27 -0.44 0.00 -0.01 0.00 0.00 57.90 57.20 1mrq n TYR 5 Cb 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 1mrq n TYR 5 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1mrq n GLN 6 N 1.32 2.20 -4.45 -0.72 -0.06 -0.61 -4.90 117.38 110.16 1mrq n GLN 6 Ca 0.19 0.78 -0.22 0.00 -2.00 0.00 0.00 57.00 55.76 1mrq n GLN 6 Cb 0.56 -2.45 -0.10 0.00 -4.06 0.00 0.00 30.24 24.18 1mrq n GLN 6 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mrq s VAL 8 N -3.09 2.03 -0.21 0.00 0.11 0.59 -4.84 120.40 114.99 1mrq s VAL 8 Ca 0.32 -1.24 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 1mrq s VAL 8 Cb 0.06 -1.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1mrq s VAL 8 CO 0.13 0.43 1.00 -0.75 -3.33 0.00 0.00 175.10 172.59 1mrq s LYS 9 N -0.96 4.28 0.68 1.54 2.20 -1.26 -0.93 119.74 125.29 1mrq s LYS 9 Ca 0.10 1.31 -0.11 0.00 -0.36 0.00 0.00 55.97 56.91 1mrq s LYS 9 Cb -0.10 -3.62 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1mrq s LYS 9 CO 0.01 -0.56 1.08 -0.51 -0.36 0.00 0.00 175.35 175.00 1mrq s LEU 10 N 2.96 2.99 0.00 5.43 1.43 0.94 -4.96 118.68 127.47 1mrq s LEU 10 Ca 0.43 1.22 0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1mrq s LEU 10 Cb -0.16 -4.09 0.54 0.00 0.03 0.00 0.00 46.19 42.51 1mrq s LEU 10 CO 0.08 -1.21 1.32 -0.46 0.23 0.00 0.00 176.35 176.31 1mrq n ASN 11 N -2.94 0.00 -1.00 2.29 2.04 -1.26 -1.39 115.26 113.00 1mrq n ASN 11 Ca 0.07 0.30 0.09 0.00 -0.44 0.00 0.00 54.58 54.60 1mrq n ASN 11 Cb 0.56 -0.39 0.24 0.00 -2.53 0.00 0.00 39.78 37.66 1mrq n ASN 11 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1mrq n ASP 12 N -1.39 3.44 0.00 0.53 5.75 -1.26 -4.97 116.55 118.65 1mrq n ASP 12 Ca 0.04 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1mrq n ASP 12 Cb 0.11 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1mrq n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mrq n GLY 13 N 1.10 1.45 3.89 6.12 0.00 -0.48 -5.05 105.19 112.21 1mrq n GLY 13 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1mrq n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mrq s HIS 14 N -2.70 3.49 -0.08 1.61 3.76 -1.26 -4.81 115.29 115.31 1mrq s HIS 14 Ca 0.00 1.07 0.02 0.00 -0.15 0.00 0.00 55.06 56.00 1mrq s HIS 14 Cb 0.00 -2.75 -0.02 0.00 1.11 0.00 0.00 32.58 30.92 1mrq s HIS 14 CO 0.00 -0.77 -0.14 -0.06 -0.85 0.00 0.00 174.74 172.92 1mrq s PHE 15 N -3.13 2.74 -0.13 1.40 0.40 -1.26 -0.04 117.98 117.95 1mrq s PHE 15 Ca 0.54 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1mrq s PHE 15 Cb -0.11 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1mrq s PHE 15 CO 0.51 0.04 -0.22 1.41 0.70 0.00 0.00 175.22 177.66 1mrq s MET 16 N -0.34 3.06 0.32 0.44 -2.45 -0.10 -4.92 119.30 115.31 1mrq s MET 16 Ca 0.03 -0.85 -0.29 0.00 -1.25 0.00 0.00 55.69 53.34 1mrq s MET 16 Cb -0.13 -2.42 -0.11 0.00 1.25 0.00 0.00 34.83 33.42 1mrq s MET 16 CO 0.02 0.05 1.51 -2.14 1.05 0.00 0.00 175.02 175.52 1mrq s PRO 17 N 0.67 4.15 0.35 4.11 0.02 -1.26 -0.30 135.00 142.74 1mrq s PRO 17 Ca -0.10 2.52 0.27 0.00 0.02 0.00 0.00 61.00 63.70 1mrq s PRO 17 Cb -0.16 -3.01 0.91 0.00 0.02 0.00 0.00 34.50 32.25 1mrq s PRO 17 CO 0.02 -0.54 1.78 -0.39 -0.33 0.00 0.00 177.00 177.53 1mrq h VAL 18 N 3.22 0.00 -3.32 3.83 -1.51 -1.58 -3.41 116.25 113.48 1mrq h VAL 18 Ca -0.49 -0.51 -0.66 0.00 -1.23 0.00 0.00 66.70 63.82 1mrq h VAL 18 Cb 1.23 1.43 -0.28 0.00 -2.13 0.00 0.00 31.29 31.54 1mrq h VAL 18 CO 0.72 0.00 -0.75 -0.22 -1.23 0.00 0.00 177.57 176.09 1mrq s LEU 19 N -5.23 2.75 0.15 4.19 2.96 -1.26 -1.18 118.68 121.07 1mrq s LEU 19 Ca 0.06 -0.36 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1mrq s LEU 19 Cb 0.09 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1mrq s LEU 19 CO 0.54 0.09 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.57 1mrq s GLY 20 N 0.80 1.63 -0.25 7.98 0.00 0.09 -4.22 107.32 113.35 1mrq s GLY 20 Ca -0.04 -1.53 -0.17 0.00 0.00 0.00 0.00 44.72 42.99 1mrq s GLY 20 CO 0.01 -1.53 0.45 -0.12 0.00 0.00 0.00 173.10 171.91 1mrq s PHE 21 N -1.29 3.28 0.07 1.90 5.36 0.11 -0.87 117.98 126.53 1mrq s PHE 21 Ca 0.17 0.55 -0.26 0.00 -0.96 0.00 0.00 56.93 56.43 1mrq s PHE 21 Cb -0.09 -2.64 -0.06 0.00 -0.34 0.00 0.00 43.02 39.89 1mrq s PHE 21 CO 0.08 -0.22 0.82 0.20 -1.46 0.00 0.00 175.22 174.64 1mrq s GLY 22 N 1.50 2.85 0.00 13.12 0.00 -0.59 -0.52 107.32 123.69 1mrq s GLY 22 Ca 0.19 0.37 0.09 0.00 0.00 0.00 0.00 44.72 45.37 1mrq s GLY 22 CO 0.09 1.19 0.57 -1.30 0.00 0.00 0.00 173.10 173.65 1mrq n THR 23 N 2.77 0.00 -2.15 0.90 -2.24 -1.02 -4.24 114.28 108.30 1mrq n THR 23 Ca -0.01 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1mrq n THR 23 Cb 0.50 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1mrq n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mrq s TYR 24 N -1.38 3.14 0.01 4.78 5.04 -1.26 -4.98 117.35 122.70 1mrq s TYR 24 Ca 0.07 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 56.01 1mrq s TYR 24 Cb 0.07 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.71 1mrq s TYR 24 CO 0.25 -1.96 -0.09 0.00 -1.34 0.00 0.00 175.55 172.41 1mrq s ALA 25 N -0.48 0.75 0.67 3.97 0.00 -1.26 -4.98 121.76 120.42 1mrq s ALA 25 Ca 0.53 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 1mrq s ALA 25 Cb -0.39 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1mrq s ALA 25 CO 0.45 0.15 0.43 -2.30 0.00 0.00 0.00 175.76 174.49 1mrq n PRO 26 N 2.50 0.33 -0.34 0.00 -0.02 -1.26 -4.83 135.00 131.39 1mrq n PRO 26 Ca -0.15 0.14 0.21 0.00 -2.02 0.00 0.00 63.50 61.68 1mrq n PRO 26 Cb 0.56 -1.70 0.46 0.00 -0.02 0.00 0.00 33.50 32.81 1mrq n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mrq h ALA 27 N -0.18 2.08 0.00 3.55 0.00 -1.99 -0.91 119.26 121.81 1mrq h ALA 27 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1mrq h ALA 27 Cb 1.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1mrq h ALA 27 CO 0.43 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 178.32 1mrq n GLU 28 N -4.73 0.04 -2.68 0.00 0.28 -1.26 -4.68 120.64 107.61 1mrq n GLU 28 Ca 0.26 0.16 -0.43 0.00 -0.16 0.00 0.00 57.16 57.00 1mrq n GLU 28 Cb 0.84 -1.56 -0.02 0.00 1.43 0.00 0.00 31.44 32.13 1mrq n GLU 28 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1mrq s VAL 29 N -3.04 4.75 0.30 3.84 1.01 -0.35 -4.99 120.40 121.92 1mrq s VAL 29 Ca 0.10 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 63.83 1mrq s VAL 29 Cb 0.13 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1mrq s VAL 29 CO 0.41 -0.06 1.10 -2.65 0.00 0.00 0.00 175.10 173.89 1mrq n PRO 30 N 5.51 1.57 0.27 2.72 -0.02 -1.26 -4.85 135.00 138.93 1mrq n PRO 30 Ca 0.10 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.31 1mrq n PRO 30 Cb 0.48 -1.99 0.86 0.00 -0.02 0.00 0.00 33.50 32.83 1mrq n PRO 30 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1mrq h LYS 31 N 2.24 0.00 0.00 -0.52 2.10 -1.94 -2.26 116.57 116.20 1mrq h LYS 31 Ca -0.41 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 1mrq h LYS 31 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1mrq h LYS 31 CO 0.62 0.00 -0.13 0.66 -2.00 0.00 0.00 179.45 178.60 1mrq h SER 32 N 0.00 0.00 0.31 7.07 4.64 -2.01 -3.14 113.55 120.42 1mrq h SER 32 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1mrq h SER 32 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1mrq h SER 32 CO 0.00 0.13 -0.23 0.11 -0.87 0.00 0.00 176.83 175.97 1mrq h LYS 33 N 0.00 0.00 -0.29 4.77 1.79 -1.76 -2.93 116.57 118.15 1mrq h LYS 33 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1mrq h LYS 33 Cb 0.39 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1mrq h LYS 33 CO 0.02 0.23 -0.09 0.00 -1.08 0.00 0.00 179.45 178.53 1mrq h ALA 34 N 1.77 1.29 0.88 3.86 0.00 -1.76 -2.52 119.26 122.79 1mrq h ALA 34 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1mrq h ALA 34 Cb 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1mrq h ALA 34 CO 0.03 0.47 -0.42 1.25 0.00 0.00 0.00 179.25 180.58 1mrq h LEU 35 N 0.45 -1.00 -0.75 0.00 5.85 -1.72 -1.86 115.31 116.27 1mrq h LEU 35 Ca 0.09 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1mrq h LEU 35 Cb 0.45 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1mrq h LEU 35 CO 0.02 -0.69 0.36 -0.08 -0.34 0.00 0.00 178.44 177.71 1mrq h GLU 36 N -1.23 1.09 -0.56 1.25 4.57 -1.67 -2.22 114.58 115.80 1mrq h GLU 36 Ca -0.12 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1mrq h GLU 36 Cb 0.91 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 1mrq h GLU 36 CO 0.20 0.85 0.35 0.00 -1.18 0.00 0.00 179.01 179.23 1mrq h ALA 37 N 1.18 0.72 -0.55 2.92 0.00 -1.46 -0.62 119.26 121.44 1mrq h ALA 37 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1mrq h ALA 37 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1mrq h ALA 37 CO -0.03 0.19 -0.04 1.15 0.00 0.00 0.00 179.25 180.52 1mrq h THR 38 N 0.76 1.26 -0.49 0.00 2.02 -1.16 0.66 112.91 115.96 1mrq h THR 38 Ca 0.20 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1mrq h THR 38 Cb -0.03 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1mrq h THR 38 CO -0.04 0.41 0.31 0.11 0.37 0.00 0.00 175.52 176.69 1mrq h LYS 39 N 0.89 0.66 -0.58 6.66 1.57 -1.09 -1.82 116.57 122.85 1mrq h LYS 39 Ca 0.16 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1mrq h LYS 39 Cb 0.57 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1mrq h LYS 39 CO 0.03 0.46 0.13 -0.07 -0.57 0.00 0.00 179.45 179.43 1mrq h LEU 40 N 0.66 0.86 -0.28 2.94 3.38 -0.67 -1.17 115.31 121.03 1mrq h LEU 40 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mrq h LEU 40 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1mrq h LEU 40 CO -0.04 0.85 0.16 0.00 0.09 0.00 0.00 178.44 179.50 1mrq h ALA 41 N 1.26 0.36 -0.65 1.53 0.00 -0.53 -0.15 119.26 121.08 1mrq h ALA 41 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1mrq h ALA 41 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mrq h ALA 41 CO 0.00 -0.13 0.27 0.82 0.00 0.00 0.00 179.25 180.21 1mrq h ILE 42 N 0.35 1.23 -0.45 0.00 2.04 -1.11 -0.63 117.51 118.94 1mrq h ILE 42 Ca 0.10 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1mrq h ILE 42 Cb 0.03 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1mrq h ILE 42 CO -0.02 0.28 0.20 -0.08 0.00 0.00 0.00 178.15 178.54 1mrq h GLU 43 N 0.91 0.63 0.00 2.37 4.57 -0.84 -2.24 114.58 119.98 1mrq h GLU 43 Ca 0.22 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1mrq h GLU 43 Cb 0.18 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1mrq h GLU 43 CO -0.02 0.51 0.00 0.00 -1.18 0.00 0.00 179.01 178.32 1mrq h ALA 44 N 1.59 1.00 0.00 2.92 0.00 -0.48 -3.47 119.26 120.82 1mrq h ALA 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mrq h ALA 44 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mrq h ALA 44 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1mrq n GLY 45 N 0.73 1.03 3.75 0.00 0.00 -0.84 -4.92 105.19 104.95 1mrq n GLY 45 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1mrq n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mrq s PHE 46 N -2.00 3.02 0.00 1.61 0.40 -0.29 -4.84 117.98 115.87 1mrq s PHE 46 Ca 0.00 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1mrq s PHE 46 Cb 0.00 -3.78 0.00 0.00 0.51 0.00 0.00 43.02 39.75 1mrq s PHE 46 CO 0.00 -2.41 0.00 0.54 0.70 0.00 0.00 175.22 174.05 1mrq n ARG 47 N 1.81 1.04 -2.70 0.44 5.12 -1.26 -4.17 116.66 116.93 1mrq n ARG 47 Ca 0.04 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.54 1mrq n ARG 47 Cb 0.41 -0.91 -0.02 0.00 -1.16 0.00 0.00 32.46 30.78 1mrq n ARG 47 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1mrq s HIS 48 N -1.81 3.33 -0.11 -1.55 2.46 -1.26 -1.07 115.29 115.28 1mrq s HIS 48 Ca 0.00 1.41 0.02 0.00 0.47 0.00 0.00 55.06 56.96 1mrq s HIS 48 Cb 0.00 -3.23 0.01 0.00 -0.13 0.00 0.00 32.58 29.23 1mrq s HIS 48 CO 0.00 -0.47 -0.17 0.42 -2.47 0.00 0.00 174.74 172.05 1mrq s ILE 49 N 3.13 1.62 -0.21 0.89 1.01 0.20 0.05 121.20 127.89 1mrq s ILE 49 Ca 0.42 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1mrq s ILE 49 Cb -0.15 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1mrq s ILE 49 CO 0.06 0.46 -0.03 -0.62 0.00 0.00 0.00 174.94 174.81 1mrq s ASP 50 N 0.84 4.48 0.00 3.58 -1.08 0.33 -1.26 116.67 123.55 1mrq s ASP 50 Ca -0.09 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1mrq s ASP 50 Cb -0.15 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 1mrq s ASP 50 CO 0.00 0.02 0.00 -0.24 0.52 0.00 0.00 175.17 175.48 1mrq n SER 51 N 4.51 0.00 -3.61 -0.34 2.88 -0.39 -2.45 113.62 114.22 1mrq n SER 51 Ca -0.18 -0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.23 1mrq n SER 51 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1mrq n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mrq s ALA 52 N -1.88 -2.06 0.27 -1.46 0.00 -1.26 -3.82 121.76 111.54 1mrq s ALA 52 Ca 0.00 1.69 -0.02 0.00 0.00 0.00 0.00 51.96 53.63 1mrq s ALA 52 Cb 0.00 -0.65 0.44 0.00 0.00 0.00 0.00 23.12 22.91 1mrq s ALA 52 CO 0.00 -0.44 1.87 1.25 0.00 0.00 0.00 175.76 178.44 1mrq h HIS 53 N 2.11 1.17 -0.09 0.00 -0.00 -1.93 -2.74 115.15 113.67 1mrq h HIS 53 Ca -0.10 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1mrq h HIS 53 Cb 1.17 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 28.20 1mrq h HIS 53 CO 0.26 0.57 0.07 1.25 -0.00 0.00 0.00 177.93 180.08 1mrq h LEU 54 N 1.11 0.00 0.00 0.26 5.85 -1.96 -2.69 115.31 117.88 1mrq h LEU 54 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1mrq h LEU 54 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1mrq h LEU 54 CO -0.20 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.68 1mrq n TYR 55 N -4.37 0.00 -4.01 1.25 4.01 -1.03 -4.89 117.16 108.12 1mrq n TYR 55 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1mrq n TYR 55 Cb 0.18 -0.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1mrq n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mrq n ASN 56 N -1.29 -2.68 0.00 7.72 5.15 -1.02 -4.85 115.26 118.31 1mrq n ASN 56 Ca 0.11 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1mrq n ASN 56 Cb 0.19 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 1mrq n ASN 56 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1mrq n ASN 57 N -2.84 0.11 -0.12 1.20 0.23 -1.26 -4.91 115.26 107.67 1mrq n ASN 57 Ca -0.08 -1.01 0.07 0.00 -0.53 0.00 0.00 54.58 53.03 1mrq n ASN 57 Cb 0.57 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.67 1mrq n ASN 57 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1mrq h GLU 58 N 0.00 0.63 -0.52 -3.83 5.08 -1.89 0.32 114.58 114.38 1mrq h GLU 58 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1mrq h GLU 58 Cb 0.47 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1mrq h GLU 58 CO 0.00 0.42 0.31 1.49 -1.00 0.00 0.00 179.01 180.23 1mrq h GLU 59 N 0.65 0.60 -0.09 2.33 4.81 -1.91 0.10 114.58 121.06 1mrq h GLU 59 Ca 0.26 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 1mrq h GLU 59 Cb 0.21 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1mrq h GLU 59 CO -0.08 0.40 -0.58 1.96 -0.73 0.00 0.00 179.01 179.97 1mrq h GLN 60 N 0.62 0.56 -0.59 1.92 7.50 -1.53 -1.78 115.11 121.80 1mrq h GLN 60 Ca 0.21 -0.48 -0.03 0.00 0.50 0.00 0.00 58.65 58.85 1mrq h GLN 60 Cb 0.02 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 1mrq h GLN 60 CO -0.09 1.10 0.24 0.28 -1.50 0.00 0.00 178.83 178.86 1mrq h VAL 61 N 0.17 1.23 -0.45 -0.54 2.07 -0.93 -1.38 116.25 116.41 1mrq h VAL 61 Ca -0.05 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1mrq h VAL 61 Cb 1.24 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1mrq h VAL 61 CO 0.12 0.28 0.29 1.23 0.02 0.00 0.00 177.57 179.51 1mrq h GLY 62 N 0.82 0.64 0.58 2.17 0.00 -0.81 -1.23 103.07 105.24 1mrq h GLY 62 Ca 0.20 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1mrq h GLY 62 CO -0.02 0.24 0.29 1.41 0.00 0.00 0.00 176.54 178.46 1mrq h LEU 63 N 0.60 0.39 -0.18 3.11 3.38 -0.94 -0.94 115.31 120.74 1mrq h LEU 63 Ca 0.16 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1mrq h LEU 63 Cb -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1mrq h LEU 63 CO -0.03 0.25 0.06 0.00 0.09 0.00 0.00 178.44 178.81 1mrq h ALA 64 N 1.36 0.23 -0.22 1.53 0.00 -0.91 -0.96 119.26 120.28 1mrq h ALA 64 Ca 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1mrq h ALA 64 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1mrq h ALA 64 CO -0.22 -0.17 0.11 0.82 0.00 0.00 0.00 179.25 179.79 1mrq h ILE 65 N 0.12 1.00 -0.15 0.00 2.04 -1.01 -2.17 117.51 117.34 1mrq h ILE 65 Ca 0.06 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1mrq h ILE 65 Cb 0.20 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1mrq h ILE 65 CO -0.00 0.04 -0.22 0.03 0.00 0.00 0.00 178.15 178.00 1mrq h ARG 66 N 0.24 0.25 -0.56 2.37 3.08 -1.10 -1.55 114.38 117.11 1mrq h ARG 66 Ca 0.09 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1mrq h ARG 66 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1mrq h ARG 66 CO -0.06 0.46 -0.04 1.03 -1.07 0.00 0.00 179.97 180.30 1mrq h SER 67 N 0.23 0.98 0.96 7.04 0.87 -0.84 0.15 113.55 122.95 1mrq h SER 67 Ca 0.04 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 1mrq h SER 67 Cb 0.52 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1mrq h SER 67 CO 0.04 1.05 -0.51 0.11 -0.53 0.00 0.00 176.83 176.99 1mrq h LYS 68 N 0.91 0.00 -0.10 2.24 1.79 -0.92 -2.27 116.57 118.23 1mrq h LYS 68 Ca 0.16 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.46 1mrq h LYS 68 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1mrq h LYS 68 CO 0.03 0.51 -0.60 0.82 -1.08 0.00 0.00 179.45 179.13 1mrq h ILE 69 N 0.00 1.35 -0.57 1.86 2.04 -1.04 -2.14 117.51 119.01 1mrq h ILE 69 Ca -0.01 -1.91 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 1mrq h ILE 69 Cb 1.13 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1mrq h ILE 69 CO 0.07 0.58 0.20 0.00 0.00 0.00 0.00 178.15 179.00 1mrq h ALA 70 N 0.47 1.29 -0.12 1.87 0.00 -0.84 -2.51 119.26 119.42 1mrq h ALA 70 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mrq h ALA 70 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1mrq h ALA 70 CO 0.12 0.52 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1mrq n ASP 71 N -4.31 1.40 0.00 0.00 5.68 -0.87 -4.92 116.55 113.53 1mrq n ASP 71 Ca 0.05 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1mrq n ASP 71 Cb 0.18 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1mrq n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mrq n GLY 72 N 1.10 0.78 0.34 6.12 0.00 -0.95 -4.94 105.19 107.64 1mrq n GLY 72 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1mrq n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mrq h SER 73 N 0.00 1.06 -5.16 1.61 0.02 -1.63 -3.45 113.55 106.01 1mrq h SER 73 Ca 0.00 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1mrq h SER 73 Cb 0.00 -0.27 -0.15 0.00 0.14 0.00 0.00 62.40 62.12 1mrq h SER 73 CO 0.00 0.85 -0.45 0.68 -1.14 0.00 0.00 176.83 176.78 1mrq s VAL 74 N -5.86 0.15 0.19 2.27 -7.23 -1.04 -5.04 120.40 103.86 1mrq s VAL 74 Ca -0.13 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1mrq s VAL 74 Cb 0.16 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1mrq s VAL 74 CO 0.82 -0.70 0.29 -0.54 -0.31 0.00 0.00 175.10 174.66 1mrq s LYS 75 N -3.61 3.34 0.30 4.82 1.02 -1.26 -4.09 119.74 120.25 1mrq s LYS 75 Ca 0.03 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1mrq s LYS 75 Cb 0.04 -2.87 0.59 0.00 -0.52 0.00 0.00 37.83 35.07 1mrq s LYS 75 CO -0.09 0.47 1.85 -0.09 -0.92 0.00 0.00 175.35 176.57 1mrq h ARG 76 N 1.73 0.93 0.00 1.68 9.65 -1.94 -1.54 114.38 124.89 1mrq h ARG 76 Ca -0.50 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.32 1mrq h ARG 76 Cb 1.21 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1mrq h ARG 76 CO 0.64 0.62 -0.02 0.93 2.80 0.00 0.00 179.97 184.94 1mrq h GLU 77 N 0.96 0.00 0.00 0.20 3.07 -2.04 -1.89 114.58 114.87 1mrq h GLU 77 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1mrq h GLU 77 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1mrq h GLU 77 CO -0.24 0.02 -0.59 -0.25 -1.40 0.00 0.00 179.01 176.56 1mrq n ASP 78 N -3.35 0.58 -4.78 1.42 8.00 -0.58 -4.83 116.55 113.01 1mrq n ASP 78 Ca -0.02 -0.34 -0.38 0.00 0.71 0.00 0.00 54.79 54.76 1mrq n ASP 78 Cb 0.14 0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1mrq n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mrq s ILE 79 N -3.01 5.09 -0.39 0.53 -1.09 -0.71 -4.79 121.20 116.83 1mrq s ILE 79 Ca 0.10 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.38 1mrq s ILE 79 Cb 0.17 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.40 1mrq s ILE 79 CO 0.73 0.47 0.17 0.12 -1.23 0.00 0.00 174.94 175.19 1mrq s PHE 80 N -0.33 3.57 -0.18 3.97 2.19 -0.23 -4.93 117.98 122.04 1mrq s PHE 80 Ca 0.24 -2.42 -0.07 0.00 0.33 0.00 0.00 56.93 55.02 1mrq s PHE 80 Cb -0.16 -3.08 -0.04 0.00 -1.31 0.00 0.00 43.02 38.43 1mrq s PHE 80 CO 0.12 -0.95 0.05 -0.47 1.83 0.00 0.00 175.22 175.79 1mrq s TYR 81 N 1.13 3.20 -0.14 10.12 5.04 -1.26 -0.63 117.35 134.80 1mrq s TYR 81 Ca 0.07 -0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.64 1mrq s TYR 81 Cb -0.22 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 39.99 1mrq s TYR 81 CO -0.04 0.08 -0.04 0.99 -1.34 0.00 0.00 175.55 175.19 1mrq s THR 82 N 0.48 3.84 0.44 4.34 2.01 -0.39 -0.53 115.64 125.83 1mrq s THR 82 Ca 0.02 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1mrq s THR 82 Cb -0.13 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.65 1mrq s THR 82 CO 0.01 0.51 0.02 -0.55 -0.69 0.00 0.00 174.62 173.92 1mrq s SER 83 N 0.23 3.99 -0.00 3.53 0.15 -0.29 -1.27 113.70 120.05 1mrq s SER 83 Ca -0.03 -1.42 -0.01 0.00 0.70 0.00 0.00 55.95 55.19 1mrq s SER 83 Cb -0.14 -0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1mrq s SER 83 CO 0.03 -0.57 0.01 -0.54 1.20 0.00 0.00 173.24 173.37 1mrq s LYS 84 N -3.77 0.09 -0.18 5.44 1.02 -1.25 -1.81 119.74 119.28 1mrq s LYS 84 Ca 0.28 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 1mrq s LYS 84 Cb 0.07 0.04 -0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1mrq s LYS 84 CO 0.14 -0.01 1.00 -1.17 -0.92 0.00 0.00 175.35 174.39 1mrq s LEU 85 N -0.32 4.16 0.61 3.17 2.96 0.11 -3.16 118.68 126.21 1mrq s LEU 85 Ca -0.04 1.41 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 1mrq s LEU 85 Cb -0.02 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1mrq s LEU 85 CO -0.00 -0.56 0.96 0.86 -1.32 0.00 0.00 176.35 176.29 1mrq s TRP 86 N 2.65 3.40 0.48 5.38 -0.00 -1.26 -1.88 118.94 127.71 1mrq s TRP 86 Ca 0.45 0.91 0.40 0.00 -0.00 0.00 0.00 56.10 57.87 1mrq s TRP 86 Cb -0.16 -2.74 2.14 0.00 -0.00 0.00 0.00 33.47 32.70 1mrq s TRP 86 CO 0.11 -0.79 2.24 0.00 -0.00 0.00 0.00 176.95 178.50 1mrq n ASN 88 N -2.97 0.14 -0.81 0.00 6.94 -1.26 -1.55 115.26 115.75 1mrq n ASN 88 Ca -0.02 -0.41 0.06 0.00 -0.02 0.00 0.00 54.58 54.18 1mrq n ASN 88 Cb 0.10 -0.18 0.15 0.00 -2.36 0.00 0.00 39.78 37.49 1mrq n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1mrq n SER 89 N -1.14 1.52 0.15 0.53 7.64 -0.58 -4.00 113.62 117.73 1mrq n SER 89 Ca 0.16 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1mrq n SER 89 Cb 0.23 -0.46 0.29 0.00 -1.01 0.00 0.00 64.21 63.26 1mrq n SER 89 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1mrq h HIS 90 N 0.93 0.10 -2.30 1.43 3.86 -1.67 -3.28 115.15 114.21 1mrq h HIS 90 Ca -0.06 -0.03 -0.58 0.00 -1.16 0.00 0.00 60.37 58.54 1mrq h HIS 90 Cb 1.25 -0.02 0.06 0.00 1.06 0.00 0.00 27.41 29.76 1mrq h HIS 90 CO 0.55 0.49 0.79 0.54 0.86 0.00 0.00 177.93 181.16 1mrq n ARG 91 N -4.04 2.16 -0.29 2.45 1.74 -1.26 -4.34 116.66 113.08 1mrq n ARG 91 Ca -0.02 0.78 0.10 0.00 -0.77 0.00 0.00 57.85 57.94 1mrq n ARG 91 Cb 0.45 -2.54 0.23 0.00 -1.02 0.00 0.00 32.46 29.58 1mrq n ARG 91 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1mrq h PRO 92 N 5.86 0.11 0.00 5.56 0.11 -1.86 0.20 132.00 141.99 1mrq h PRO 92 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mrq h PRO 92 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1mrq h PRO 92 CO 0.88 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 1mrq n GLU 93 N -5.34 0.16 0.00 1.05 0.00 -1.26 -2.28 120.64 112.97 1mrq n GLU 93 Ca 0.18 0.45 0.10 0.00 0.00 0.00 0.00 57.16 57.89 1mrq n GLU 93 Cb 0.60 -1.83 -0.03 0.00 0.00 0.00 0.00 31.44 30.18 1mrq n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1mrq n LEU 94 N -2.13 1.74 0.15 -1.84 4.77 0.69 -4.59 117.00 115.78 1mrq n LEU 94 Ca 0.01 -0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 1mrq n LEU 94 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1mrq n LEU 94 CO 0.16 0.34 0.52 0.58 -1.33 0.00 0.00 177.39 177.66 1mrq h VAL 95 N 1.81 0.69 -0.27 4.08 2.07 -1.24 -2.61 116.25 120.78 1mrq h VAL 95 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1mrq h VAL 95 Cb 0.67 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1mrq h VAL 95 CO 0.00 0.12 0.17 -0.09 0.02 0.00 0.00 177.57 177.80 1mrq h ARG 96 N -0.78 0.36 -0.98 1.57 2.43 -1.81 -1.89 114.38 113.28 1mrq h ARG 96 Ca -0.04 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.25 1mrq h ARG 96 Cb 0.51 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1mrq h ARG 96 CO 0.07 0.26 0.59 -1.35 -1.51 0.00 0.00 179.97 178.02 1mrq h PRO 97 N 0.36 0.82 -0.45 0.20 0.11 -1.81 0.73 132.00 131.96 1mrq h PRO 97 Ca 0.10 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1mrq h PRO 97 Cb -0.02 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 1mrq h PRO 97 CO -0.02 0.54 0.19 0.00 -0.21 0.00 0.00 178.00 178.51 1mrq h ALA 98 N 1.58 0.58 -0.49 -0.75 0.00 -1.01 0.15 119.26 119.32 1mrq h ALA 98 Ca 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1mrq h ALA 98 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1mrq h ALA 98 CO -0.33 0.17 0.09 1.25 0.00 0.00 0.00 179.25 180.43 1mrq h LEU 99 N 0.58 0.77 -1.25 0.00 5.85 -0.69 -1.77 115.31 118.80 1mrq h LEU 99 Ca 0.15 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1mrq h LEU 99 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1mrq h LEU 99 CO -0.02 0.83 0.15 -0.33 -0.34 0.00 0.00 178.44 178.74 1mrq h GLU 100 N 0.68 0.67 -0.25 1.25 5.08 -0.67 -0.24 114.58 121.11 1mrq h GLU 100 Ca 0.15 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1mrq h GLU 100 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1mrq h GLU 100 CO 0.01 0.58 0.03 -0.09 -1.00 0.00 0.00 179.01 178.53 1mrq h ARG 101 N 0.66 0.42 -0.36 2.33 2.43 -0.71 0.58 114.38 119.73 1mrq h ARG 101 Ca 0.16 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1mrq h ARG 101 Cb 0.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1mrq h ARG 101 CO -0.01 0.57 0.17 0.77 -1.51 0.00 0.00 179.97 179.96 1mrq h SER 102 N 0.22 0.24 -0.78 -3.80 0.02 -0.89 -1.49 113.55 107.07 1mrq h SER 102 Ca 0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1mrq h SER 102 Cb 0.36 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1mrq h SER 102 CO 0.01 0.18 0.45 -0.07 -1.14 0.00 0.00 176.83 176.26 1mrq h LEU 103 N 0.35 0.97 -0.54 5.07 3.38 -0.84 -0.42 115.31 123.27 1mrq h LEU 103 Ca 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mrq h LEU 103 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1mrq h LEU 103 CO -0.12 0.76 0.24 0.50 0.09 0.00 0.00 178.44 179.91 1mrq h LYS 104 N 1.10 0.80 -0.65 1.13 3.64 -0.57 0.94 116.57 122.95 1mrq h LYS 104 Ca 0.28 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1mrq h LYS 104 Cb -0.01 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1mrq h LYS 104 CO -0.05 0.68 0.15 -0.91 -2.27 0.00 0.00 179.45 177.05 1mrq h ASN 105 N 0.73 1.00 0.85 4.20 2.35 -0.71 -2.78 115.58 121.23 1mrq h ASN 105 Ca 0.18 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1mrq h ASN 105 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1mrq h ASN 105 CO -0.02 0.98 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.39 1mrq h LEU 106 N 0.98 0.00 -0.69 1.61 3.38 -0.93 -3.34 115.31 116.32 1mrq h LEU 106 Ca 0.20 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.74 1mrq h LEU 106 Cb 0.38 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.17 1mrq h LEU 106 CO 0.00 0.28 -0.71 0.00 0.09 0.00 0.00 178.44 178.11 1mrq n GLN 107 N -3.48 -6.38 -4.35 1.13 1.13 0.29 -4.46 117.38 101.26 1mrq n GLN 107 Ca -0.00 0.71 -0.26 0.00 -1.94 0.00 0.00 57.00 55.51 1mrq n GLN 107 Cb 0.45 -5.66 -0.10 0.00 0.11 0.00 0.00 30.24 25.04 1mrq n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1mrq s LEU 108 N -7.22 2.82 0.17 1.08 1.43 -0.99 -5.05 118.68 110.92 1mrq s LEU 108 Ca 0.60 -0.74 0.19 0.00 -1.03 0.00 0.00 54.13 53.15 1mrq s LEU 108 Cb -0.28 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1mrq s LEU 108 CO 0.74 0.08 1.04 0.44 0.23 0.00 0.00 176.35 178.88 1mrq h ASP 109 N 2.67 0.00 -5.08 2.29 3.45 -1.96 -3.42 116.42 114.38 1mrq h ASP 109 Ca -0.45 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.95 1mrq h ASP 109 Cb 1.22 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.85 1mrq h ASP 109 CO 0.55 0.33 -0.13 -0.72 -1.57 0.00 0.00 179.24 177.69 1mrq s TYR 110 N -3.10 -0.16 0.12 4.55 -0.85 -1.26 -4.76 117.35 111.88 1mrq s TYR 110 Ca -0.00 -0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 1mrq s TYR 110 Cb 0.09 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1mrq s TYR 110 CO 0.78 -0.64 0.15 0.14 -1.52 0.00 0.00 175.55 174.47 1mrq s VAL 111 N -3.43 4.73 0.08 -3.49 -7.23 -0.36 -5.01 120.40 105.69 1mrq s VAL 111 Ca 0.01 -0.84 0.12 0.00 -1.81 0.00 0.00 61.98 59.46 1mrq s VAL 111 Cb 0.01 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 1mrq s VAL 111 CO -0.09 -0.00 1.48 0.44 -0.31 0.00 0.00 175.10 176.62 1mrq h ASP 112 N 2.73 0.00 -3.41 4.85 5.19 -1.13 -0.86 116.42 123.78 1mrq h ASP 112 Ca -0.47 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.77 1mrq h ASP 112 Cb 1.18 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.41 1mrq h ASP 112 CO 0.66 0.66 -0.42 -0.22 -3.12 0.00 0.00 179.24 176.80 1mrq s LEU 113 N -6.86 0.38 -0.11 1.55 2.96 -0.85 -0.90 118.68 114.84 1mrq s LEU 113 Ca 0.01 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1mrq s LEU 113 Cb 0.10 0.94 0.01 0.00 0.50 0.00 0.00 46.19 47.74 1mrq s LEU 113 CO 0.76 -0.16 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.99 1mrq s TYR 114 N 1.08 2.17 0.03 5.38 5.04 -0.67 -1.13 117.35 129.24 1mrq s TYR 114 Ca -0.08 -1.02 0.05 0.00 -2.44 0.00 0.00 57.07 53.59 1mrq s TYR 114 Cb -0.08 -1.53 -0.03 0.00 0.35 0.00 0.00 41.96 40.67 1mrq s TYR 114 CO -0.08 -0.50 -0.13 -0.51 -1.34 0.00 0.00 175.55 172.99 1mrq s LEU 115 N 0.87 2.85 -0.21 6.97 1.43 -0.75 -1.45 118.68 128.40 1mrq s LEU 115 Ca -0.08 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 1mrq s LEU 115 Cb -0.15 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1mrq s LEU 115 CO -0.01 0.26 1.47 -0.63 0.23 0.00 0.00 176.35 177.67 1mrq s ILE 116 N -0.96 3.92 0.13 -0.59 1.01 -0.71 0.08 121.20 124.07 1mrq s ILE 116 Ca 0.16 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 1mrq s ILE 116 Cb -0.11 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1mrq s ILE 116 CO 0.06 -0.28 1.59 -0.74 0.00 0.00 0.00 174.94 175.58 1mrq h HIS 117 N 9.69 0.75 -2.12 3.97 2.76 -1.64 0.23 115.15 128.79 1mrq h HIS 117 Ca -0.31 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 57.72 1mrq h HIS 117 Cb 1.13 -0.20 -0.22 0.00 1.55 0.00 0.00 27.41 29.67 1mrq h HIS 117 CO 0.88 0.74 0.01 0.12 -1.30 0.00 0.00 177.93 178.38 1mrq s PHE 118 N -5.12 -0.87 -1.21 5.26 5.36 -1.25 -4.24 117.98 115.92 1mrq s PHE 118 Ca -0.13 1.90 0.16 0.00 -0.96 0.00 0.00 56.93 57.90 1mrq s PHE 118 Cb 0.10 0.42 0.74 0.00 -0.34 0.00 0.00 43.02 43.94 1mrq s PHE 118 CO 0.79 -0.43 1.48 -0.35 -1.46 0.00 0.00 175.22 175.25 1mrq n PRO 119 N 3.57 0.11 -3.29 10.12 -0.04 -1.26 -4.71 135.00 139.50 1mrq n PRO 119 Ca -0.17 0.18 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 1mrq n PRO 119 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1mrq n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mrq s VAL 120 N -2.79 5.15 0.12 0.52 1.01 -1.26 -4.89 120.40 118.25 1mrq s VAL 120 Ca 0.11 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 1mrq s VAL 120 Cb 0.10 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1mrq s VAL 120 CO 0.27 0.24 0.59 -0.44 0.00 0.00 0.00 175.10 175.75 1mrq s SER 121 N 0.96 7.00 0.28 3.32 0.01 -1.26 -4.71 113.70 119.30 1mrq s SER 121 Ca 0.24 1.24 0.09 0.00 1.31 0.00 0.00 55.95 58.83 1mrq s SER 121 Cb -0.15 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1mrq s SER 121 CO 0.09 0.19 -0.13 0.68 0.41 0.00 0.00 173.24 174.48 1mrq s VAL 122 N -1.27 2.07 0.31 3.43 -7.23 -0.59 -1.68 120.40 115.43 1mrq s VAL 122 Ca 0.34 -2.26 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 1mrq s VAL 122 Cb -0.18 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.29 1mrq s VAL 122 CO 0.19 -0.38 1.41 0.29 -0.31 0.00 0.00 175.10 176.30 1mrq n LYS 123 N -0.59 2.30 -1.92 4.82 4.76 -0.53 -4.30 118.16 122.69 1mrq n LYS 123 Ca -0.06 0.81 -0.36 0.00 -2.87 0.00 0.00 58.31 55.83 1mrq n LYS 123 Cb 0.62 -2.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.38 1mrq n LYS 123 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1mrq s PRO 124 N -1.26 2.83 0.00 1.97 0.02 -1.26 -4.72 135.00 132.58 1mrq s PRO 124 Ca 0.60 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1mrq s PRO 124 Cb -0.56 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1mrq s PRO 124 CO 0.56 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1mrq n GLY 125 N 0.65 0.40 0.29 0.52 0.00 -1.26 -4.96 105.19 100.83 1mrq n GLY 125 Ca 0.14 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1mrq n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mrq h GLU 126 N 0.00 0.82 -6.31 1.61 4.39 -1.98 -3.43 114.58 109.69 1mrq h GLU 126 Ca 0.00 -0.22 -0.55 0.00 0.34 0.00 0.00 59.36 58.94 1mrq h GLU 126 Cb 0.00 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1mrq h GLU 126 CO 0.00 0.82 1.00 -2.00 -1.16 0.00 0.00 179.01 177.66 1mrq s GLU 127 N -5.02 4.21 0.30 2.33 2.56 -1.26 -4.91 118.70 116.92 1mrq s GLU 127 Ca -0.10 2.12 0.05 0.00 0.00 0.00 0.00 54.97 57.04 1mrq s GLU 127 Cb 0.15 -3.80 0.47 0.00 2.00 0.00 0.00 34.13 32.95 1mrq s GLU 127 CO 0.81 -0.75 1.74 -0.39 -0.56 0.00 0.00 175.26 176.11 1mrq h VAL 128 N 5.27 1.27 -3.01 3.70 -1.51 -1.95 -3.34 116.25 116.67 1mrq h VAL 128 Ca -0.38 -1.30 -0.62 0.00 -1.23 0.00 0.00 66.70 63.17 1mrq h VAL 128 Cb 1.18 1.46 -0.40 0.00 -2.13 0.00 0.00 31.29 31.39 1mrq h VAL 128 CO 0.94 0.40 -0.71 -0.63 -1.23 0.00 0.00 177.57 176.34 1mrq s ILE 129 N -4.39 1.80 0.21 7.19 1.01 -1.26 -4.59 121.20 121.17 1mrq s ILE 129 Ca -0.06 -3.06 -0.30 0.00 0.00 0.00 0.00 60.65 57.24 1mrq s ILE 129 Cb 0.14 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1mrq s ILE 129 CO 0.78 -0.94 1.28 -2.16 0.00 0.00 0.00 174.94 173.90 1mrq s PRO 130 N -0.17 4.41 0.05 2.79 0.04 -1.26 -4.97 135.00 135.90 1mrq s PRO 130 Ca 0.21 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1mrq s PRO 130 Cb -0.17 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1mrq s PRO 130 CO -0.05 -0.20 -0.10 0.15 0.04 0.00 0.00 177.00 176.83 1mrq s LYS 131 N -0.35 0.63 0.50 4.56 1.02 -1.26 -0.70 119.74 124.13 1mrq s LYS 131 Ca 0.55 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1mrq s LYS 131 Cb -0.36 -0.49 0.10 0.00 -0.52 0.00 0.00 37.83 36.56 1mrq s LYS 131 CO 0.39 0.10 0.68 -0.40 -0.92 0.00 0.00 175.35 175.21 1mrq n ASP 132 N 1.53 0.77 -4.76 2.83 5.75 -0.79 -4.91 116.55 116.97 1mrq n ASP 132 Ca -0.21 -1.68 -0.41 0.00 -0.01 0.00 0.00 54.79 52.47 1mrq n ASP 132 Cb 0.55 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1mrq n ASP 132 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1mrq s GLU 133 N -4.26 4.38 0.00 0.11 8.01 -1.26 -1.96 118.70 123.72 1mrq s GLU 133 Ca 0.44 2.16 0.00 0.00 0.01 0.00 0.00 54.97 57.58 1mrq s GLU 133 Cb -0.02 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 1mrq s GLU 133 CO 0.29 -0.19 0.00 0.09 0.01 0.00 0.00 175.26 175.47 1mrq n ASN 134 N 1.28 0.00 -0.09 -0.19 3.02 -1.26 -4.58 115.26 113.44 1mrq n ASN 134 Ca 0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.55 1mrq n ASN 134 Cb 0.42 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 1mrq n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrq n GLY 135 N -2.00 0.48 3.69 7.41 0.00 -0.83 -5.03 105.19 108.92 1mrq n GLY 135 Ca 0.00 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1mrq n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mrq s LYS 136 N -1.90 4.36 0.25 1.61 2.20 -1.26 -4.82 119.74 120.18 1mrq s LYS 136 Ca 0.00 0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 56.19 1mrq s LYS 136 Cb 0.00 -3.51 -0.12 0.00 -1.51 0.00 0.00 37.83 32.69 1mrq s LYS 136 CO 0.00 -0.11 1.65 -0.89 -0.36 0.00 0.00 175.35 175.64 1mrq n ILE 137 N 4.23 0.53 -2.94 5.43 5.41 -1.26 -1.88 119.36 128.88 1mrq n ILE 137 Ca 0.01 -0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.19 1mrq n ILE 137 Cb 0.50 -1.96 -0.05 0.00 -0.71 0.00 0.00 39.64 37.43 1mrq n ILE 137 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1mrq s LEU 138 N 0.32 4.38 0.41 1.39 1.43 0.12 -4.91 118.68 121.82 1mrq s LEU 138 Ca 0.70 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1mrq s LEU 138 Cb -0.51 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 1mrq s LEU 138 CO 0.41 -1.11 0.74 -0.36 0.23 0.00 0.00 176.35 176.26 1mrq s PHE 139 N 3.51 3.51 0.07 0.29 0.08 -1.26 -1.46 117.98 122.71 1mrq s PHE 139 Ca 0.26 0.87 0.06 0.00 0.12 0.00 0.00 56.93 58.24 1mrq s PHE 139 Cb -0.15 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1mrq s PHE 139 CO 0.17 -0.12 -0.17 0.34 -0.10 0.00 0.00 175.22 175.34 1mrq s ASP 140 N -3.55 2.08 -0.41 1.36 2.15 -0.68 -4.45 116.67 113.18 1mrq s ASP 140 Ca 0.48 -0.58 -0.16 0.00 0.43 0.00 0.00 52.55 52.72 1mrq s ASP 140 Cb -0.10 -0.12 0.02 0.00 -0.30 0.00 0.00 42.92 42.42 1mrq s ASP 140 CO 0.36 0.03 0.35 -0.89 -0.17 0.00 0.00 175.17 174.85 1mrq s THR 141 N -1.06 5.20 -0.02 1.71 2.01 -1.26 -4.34 115.64 117.88 1mrq s THR 141 Ca 0.03 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1mrq s THR 141 Cb -0.09 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1mrq s THR 141 CO 0.03 -0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.86 1mrq s VAL 142 N 1.85 0.72 -0.33 3.82 1.01 -1.26 -5.08 120.40 121.13 1mrq s VAL 142 Ca 0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1mrq s VAL 142 Cb -0.18 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1mrq s VAL 142 CO 0.11 0.23 1.45 -0.62 0.00 0.00 0.00 175.10 176.27 1mrq s ASP 143 N 0.18 6.42 0.56 3.32 2.15 -1.26 -4.90 116.67 123.14 1mrq s ASP 143 Ca -0.03 1.16 0.24 0.00 0.43 0.00 0.00 52.55 54.35 1mrq s ASP 143 Cb -0.08 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.59 1mrq s ASP 143 CO 0.00 -1.30 2.20 -0.07 -0.17 0.00 0.00 175.17 175.83 1mrq h LEU 144 N 11.79 0.00 -0.93 -1.34 3.38 -1.95 -0.10 115.31 126.15 1mrq h LEU 144 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1mrq h LEU 144 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1mrq h LEU 144 CO 1.05 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 179.47 1mrq h ALA 146 N 1.28 0.70 -0.37 0.00 0.00 -1.44 -1.63 119.26 117.80 1mrq h ALA 146 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1mrq h ALA 146 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mrq h ALA 146 CO 0.03 0.65 0.19 1.15 0.00 0.00 0.00 179.25 181.28 1mrq h THR 147 N 0.86 1.00 -0.59 0.00 2.02 -1.13 -2.42 112.91 112.65 1mrq h THR 147 Ca 0.12 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1mrq h THR 147 Cb 0.74 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1mrq h THR 147 CO 0.06 0.07 0.39 -0.25 0.37 0.00 0.00 175.52 176.16 1mrq h TRP 148 N 0.39 0.73 -0.90 3.16 2.91 -0.82 -0.65 115.95 120.78 1mrq h TRP 148 Ca 0.15 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.30 1mrq h TRP 148 Cb 0.05 -0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 28.37 1mrq h TRP 148 CO -0.09 0.46 0.54 0.93 -1.03 0.00 0.00 178.44 179.24 1mrq h GLU 149 N 0.79 0.84 -0.15 2.65 5.08 -1.08 0.26 114.58 122.96 1mrq h GLU 149 Ca 0.22 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 1mrq h GLU 149 Cb -0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1mrq h GLU 149 CO -0.05 0.55 -0.49 0.00 -1.00 0.00 0.00 179.01 178.02 1mrq h ALA 150 N 1.50 0.87 -0.60 3.43 0.00 -0.81 -2.22 119.26 121.44 1mrq h ALA 150 Ca 0.45 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1mrq h ALA 150 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mrq h ALA 150 CO -0.27 0.66 0.06 0.28 0.00 0.00 0.00 179.25 179.99 1mrq h VAL 151 N 0.32 1.26 -0.72 0.00 2.07 -0.21 -2.71 116.25 116.26 1mrq h VAL 151 Ca 0.02 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.54 1mrq h VAL 151 Cb 0.98 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1mrq h VAL 151 CO 0.08 0.38 0.48 -0.33 0.02 0.00 0.00 177.57 178.21 1mrq h GLU 152 N 0.91 0.77 0.00 1.57 5.08 -0.20 -1.17 114.58 121.55 1mrq h GLU 152 Ca 0.18 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1mrq h GLU 152 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1mrq h GLU 152 CO 0.02 0.51 -0.25 0.87 -1.00 0.00 0.00 179.01 179.16 1mrq h LYS 153 N 0.80 0.00 -0.31 2.33 1.79 -1.09 -1.67 116.57 118.42 1mrq h LYS 153 Ca 0.30 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1mrq h LYS 153 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1mrq h LYS 153 CO -0.10 0.25 -0.21 0.00 -1.08 0.00 0.00 179.45 178.32 1mrq h LYS 155 N 0.51 0.72 -0.81 0.00 3.64 -1.22 -1.53 116.57 117.88 1mrq h LYS 155 Ca 0.08 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1mrq h LYS 155 Cb 0.65 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1mrq h LYS 155 CO 0.05 0.95 0.53 -0.44 -2.27 0.00 0.00 179.45 178.27 1mrq h ASP 156 N 0.48 0.76 1.32 4.20 3.32 -1.05 -1.83 116.42 123.62 1mrq h ASP 156 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1mrq h ASP 156 Cb 0.78 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1mrq h ASP 156 CO 0.06 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 1mrq n ALA 157 N -2.43 2.28 -0.89 3.45 0.00 -0.30 -4.92 120.51 117.69 1mrq n ALA 157 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1mrq n ALA 157 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1mrq n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mrq n GLY 158 N 1.32 0.52 0.12 0.00 0.00 -0.69 -4.93 105.19 101.53 1mrq n GLY 158 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1mrq n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mrq h LEU 159 N 0.00 0.00 -7.83 0.99 3.38 -1.53 -3.43 115.31 106.88 1mrq h LEU 159 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1mrq h LEU 159 Cb 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.40 1mrq h LEU 159 CO 0.00 0.61 -0.80 0.00 0.09 0.00 0.00 178.44 178.33 1mrq s ALA 160 N -2.91 1.16 0.09 1.53 0.00 -1.14 -1.23 121.76 119.27 1mrq s ALA 160 Ca 0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1mrq s ALA 160 Cb 0.08 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1mrq s ALA 160 CO 0.76 -0.10 1.43 0.87 0.00 0.00 0.00 175.76 178.72 1mrq h LYS 161 N 7.44 0.60 -5.32 0.00 1.57 -1.21 -3.36 116.57 116.30 1mrq h LYS 161 Ca -0.31 -0.29 -0.39 0.00 -1.87 0.00 0.00 60.65 57.78 1mrq h LYS 161 Cb 1.16 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 1mrq h LYS 161 CO 0.44 0.88 -0.75 -1.12 -0.57 0.00 0.00 179.45 178.33 1mrq s SER 162 N -6.36 1.92 0.04 0.86 0.01 -0.08 -5.00 113.70 105.10 1mrq s SER 162 Ca -0.13 -0.84 0.04 0.00 1.31 0.00 0.00 55.95 56.33 1mrq s SER 162 Cb 0.08 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1mrq s SER 162 CO 0.80 -0.18 -0.12 0.27 0.41 0.00 0.00 173.24 174.41 1mrq s ILE 163 N -2.35 0.96 0.00 1.44 -4.36 -1.26 -1.67 121.20 113.96 1mrq s ILE 163 Ca 0.10 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1mrq s ILE 163 Cb -0.04 -0.90 0.00 0.00 1.25 0.00 0.00 42.46 42.78 1mrq s ILE 163 CO 0.02 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1mrq n GLY 164 N 1.83 2.62 3.34 6.27 0.00 -0.52 -0.81 105.19 117.92 1mrq n GLY 164 Ca -0.19 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 1mrq n GLY 164 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mrq s VAL 165 N -2.92 0.61 -0.06 1.61 -7.23 -0.71 -1.75 120.40 109.96 1mrq s VAL 165 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1mrq s VAL 165 Cb 0.00 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1mrq s VAL 165 CO 0.00 0.00 0.21 -0.55 -0.31 0.00 0.00 175.10 174.45 1mrq s SER 166 N -3.34 -0.17 -1.84 4.85 0.15 0.07 -1.31 113.70 112.10 1mrq s SER 166 Ca 0.37 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1mrq s SER 166 Cb 0.08 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1mrq s SER 166 CO 0.14 -0.17 0.00 0.59 1.20 0.00 0.00 173.24 175.00 1mrq n ASN 167 N 2.48 -5.89 -4.82 5.45 3.02 -0.18 -3.89 115.26 111.43 1mrq n ASN 167 Ca -0.16 0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 1mrq n ASN 167 Cb 0.58 -4.93 -0.06 0.00 -0.61 0.00 0.00 39.78 34.76 1mrq n ASN 167 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1mrq s PHE 168 N -3.02 3.76 0.76 3.10 0.40 -1.26 -4.52 117.98 117.20 1mrq s PHE 168 Ca 0.00 1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 57.42 1mrq s PHE 168 Cb 0.00 -2.38 0.14 0.00 0.51 0.00 0.00 43.02 41.28 1mrq s PHE 168 CO 0.00 0.62 1.05 0.54 0.70 0.00 0.00 175.22 178.12 1mrq s ASN 169 N -1.11 4.16 0.16 1.36 2.20 -1.26 -4.87 114.94 115.58 1mrq s ASN 169 Ca 0.26 -0.24 -0.15 0.00 -0.94 0.00 0.00 52.86 51.79 1mrq s ASN 169 Cb -0.18 -0.09 0.08 0.00 -2.00 0.00 0.00 41.25 39.06 1mrq s ASN 169 CO 0.16 -1.99 1.76 -0.09 -2.94 0.00 0.00 177.10 174.00 1mrq h ARG 170 N -0.71 0.32 -0.83 3.55 2.43 -1.46 -1.07 114.38 116.62 1mrq h ARG 170 Ca -0.38 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.83 1mrq h ARG 170 Cb 1.26 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1mrq h ARG 170 CO 0.40 0.21 0.51 -0.09 -1.51 0.00 0.00 179.97 179.49 1mrq h ARG 171 N 0.33 0.90 -0.39 0.20 2.43 -1.95 -0.29 114.38 115.60 1mrq h ARG 171 Ca 0.18 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 1mrq h ARG 171 Cb 0.14 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1mrq h ARG 171 CO -0.17 0.59 -0.34 1.96 -1.51 0.00 0.00 179.97 180.50 1mrq h GLN 172 N 0.92 0.90 -0.43 0.20 4.20 -1.80 -0.72 115.11 118.39 1mrq h GLN 172 Ca 0.36 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1mrq h GLN 172 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1mrq h GLN 172 CO -0.17 1.10 0.27 -0.07 -0.67 0.00 0.00 178.83 179.28 1mrq h LEU 173 N 0.75 0.51 -1.13 1.46 3.38 -0.76 -2.66 115.31 116.87 1mrq h LEU 173 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mrq h LEU 173 Cb 0.92 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1mrq h LEU 173 CO 0.09 0.40 0.54 -0.33 0.09 0.00 0.00 178.44 179.22 1mrq h GLU 174 N 0.57 1.12 -0.82 1.13 5.08 -0.83 0.18 114.58 121.03 1mrq h GLU 174 Ca 0.16 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1mrq h GLU 174 Cb -0.03 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 28.93 1mrq h GLU 174 CO -0.03 0.76 0.53 1.98 -1.00 0.00 0.00 179.01 181.25 1mrq h MET 175 N 1.15 1.01 -0.06 2.33 4.05 -0.80 0.18 114.93 122.79 1mrq h MET 175 Ca 0.31 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1mrq h MET 175 Cb -0.09 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.48 1mrq h MET 175 CO -0.06 0.67 -0.12 0.82 0.23 0.00 0.00 176.91 178.45 1mrq h ILE 176 N 1.04 1.42 -0.40 1.77 1.08 -1.12 -2.84 117.51 118.46 1mrq h ILE 176 Ca 0.32 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1mrq h ILE 176 Cb -0.02 2.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 1mrq h ILE 176 CO -0.10 0.40 0.24 -0.07 -0.69 0.00 0.00 178.15 177.93 1mrq h LEU 177 N -0.31 0.46 -1.48 1.44 3.38 -0.66 -2.22 115.31 115.92 1mrq h LEU 177 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mrq h LEU 177 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1mrq h LEU 177 CO 0.03 0.35 0.00 0.59 0.09 0.00 0.00 178.44 179.50 1mrq n ASN 178 N -4.46 2.26 -4.72 -0.43 5.03 0.60 -4.96 115.26 108.58 1mrq n ASN 178 Ca 0.03 -1.77 -0.42 0.00 0.87 0.00 0.00 54.58 53.29 1mrq n ASN 178 Cb 0.07 -0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 1mrq n ASN 178 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1mrq s LYS 179 N -1.83 4.15 0.26 3.52 2.20 -0.84 -4.93 119.74 122.27 1mrq s LYS 179 Ca 0.34 2.53 -0.31 0.00 -0.36 0.00 0.00 55.97 58.18 1mrq s LYS 179 Cb 0.20 -3.09 -0.11 0.00 -1.51 0.00 0.00 37.83 33.31 1mrq s LYS 179 CO 0.30 -0.70 1.62 -2.14 -0.36 0.00 0.00 175.35 174.07 1mrq s PRO 180 N 1.06 4.14 -0.51 4.03 0.02 -1.26 -2.36 135.00 140.12 1mrq s PRO 180 Ca 0.73 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.29 1mrq s PRO 180 Cb -0.48 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1mrq s PRO 180 CO 0.33 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1mrq n GLY 181 N 2.79 0.74 3.62 0.52 0.00 -1.26 -4.97 105.19 106.63 1mrq n GLY 181 Ca 0.11 -0.58 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 1mrq n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mrq n LEU 182 N -0.55 2.12 -0.14 0.99 7.94 -0.99 -4.91 117.00 121.47 1mrq n LEU 182 Ca -0.05 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.71 1mrq n LEU 182 Cb 0.19 -1.27 -0.11 0.00 0.53 0.00 0.00 43.42 42.76 1mrq n LEU 182 CO 0.07 -0.84 -1.41 1.17 -1.11 0.00 0.00 177.39 175.28 1mrq n LYS 183 N 2.63 0.61 -4.25 1.96 4.81 -1.26 -4.98 118.16 117.69 1mrq n LYS 183 Ca 0.17 0.22 -0.23 0.00 -0.87 0.00 0.00 58.31 57.60 1mrq n LYS 183 Cb 0.23 -1.50 -0.17 0.00 0.02 0.00 0.00 35.03 33.62 1mrq n LYS 183 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1mrq s TYR 184 N -2.51 1.10 0.59 5.64 2.02 -1.26 -5.13 117.35 117.79 1mrq s TYR 184 Ca -0.37 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 55.75 1mrq s TYR 184 Cb 0.13 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 1mrq s TYR 184 CO 0.53 -0.28 1.15 0.15 -1.57 0.00 0.00 175.55 175.53 1mrq s LYS 185 N 1.02 3.09 0.33 -0.62 1.02 -1.26 -4.98 119.74 118.34 1mrq s LYS 185 Ca -0.09 1.64 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 1mrq s LYS 185 Cb -0.14 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 1mrq s LYS 185 CO -0.00 -1.07 1.55 -2.14 -0.92 0.00 0.00 175.35 172.77 1mrq s PRO 186 N -3.48 4.12 0.40 -1.68 0.02 -1.26 -4.87 135.00 128.25 1mrq s PRO 186 Ca 0.73 2.58 0.22 0.00 0.02 0.00 0.00 61.00 64.54 1mrq s PRO 186 Cb -0.25 -3.00 0.37 0.00 0.02 0.00 0.00 34.50 31.64 1mrq s PRO 186 CO 0.32 -0.59 1.60 -0.39 -0.33 0.00 0.00 177.00 177.62 1mrq h VAL 187 N 3.20 0.27 -3.30 3.83 -1.51 -1.31 -3.44 116.25 113.99 1mrq h VAL 187 Ca -0.49 -1.31 -0.03 0.00 -1.23 0.00 0.00 66.70 63.64 1mrq h VAL 187 Cb 1.23 2.07 -0.11 0.00 -2.13 0.00 0.00 31.29 32.35 1mrq h VAL 187 CO 0.72 0.15 0.02 0.00 -1.23 0.00 0.00 177.57 177.23 1mrq s ASN 189 N -2.83 3.65 -0.30 0.00 2.47 -0.09 -1.73 114.94 116.11 1mrq s ASN 189 Ca 0.06 -1.10 -0.21 0.00 0.42 0.00 0.00 52.86 52.03 1mrq s ASN 189 Cb -0.00 -1.07 -0.01 0.00 -1.45 0.00 0.00 41.25 38.73 1mrq s ASN 189 CO -0.07 -0.25 0.69 -1.58 -3.72 0.00 0.00 177.10 172.17 1mrq s GLN 190 N 1.48 3.95 0.08 0.43 0.74 -0.43 -2.02 119.66 123.90 1mrq s GLN 190 Ca -0.05 0.44 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 1mrq s GLN 190 Cb -0.18 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 1mrq s GLN 190 CO -0.07 -0.59 -0.00 0.14 -0.55 0.00 0.00 175.29 174.22 1mrq s VAL 191 N 2.72 0.19 0.20 1.34 -7.23 0.01 -1.01 120.40 116.62 1mrq s VAL 191 Ca 0.28 -1.85 -0.32 0.00 -1.81 0.00 0.00 61.98 58.28 1mrq s VAL 191 Cb -0.15 -1.70 -0.12 0.00 0.56 0.00 0.00 36.38 34.97 1mrq s VAL 191 CO 0.12 -0.81 1.72 -0.70 -0.31 0.00 0.00 175.10 175.11 1mrq s GLU 192 N -3.96 4.13 -0.26 4.82 2.12 -1.26 -0.92 118.70 123.37 1mrq s GLU 192 Ca 0.13 2.59 -0.12 0.00 0.36 0.00 0.00 54.97 57.93 1mrq s GLU 192 Cb 0.08 -3.11 0.09 0.00 0.26 0.00 0.00 34.13 31.45 1mrq s GLU 192 CO -0.06 -0.75 0.61 0.00 -0.54 0.00 0.00 175.26 174.52 1mrq s HIS 194 N 2.12 -0.10 0.66 0.00 -3.43 -1.00 -3.82 115.29 109.72 1mrq s HIS 194 Ca -0.08 -0.33 0.37 0.00 -0.80 0.00 0.00 55.06 54.23 1mrq s HIS 194 Cb -0.09 0.70 2.03 0.00 -1.43 0.00 0.00 32.58 33.80 1mrq s HIS 194 CO -0.18 -1.10 2.16 -1.35 -2.00 0.00 0.00 174.74 172.27 1mrq h PRO 195 N 2.00 0.00 0.00 -0.38 0.11 -1.90 -0.64 132.00 131.19 1mrq h PRO 195 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1mrq h PRO 195 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mrq h PRO 195 CO 0.28 0.00 -0.48 0.66 -0.21 0.00 0.00 178.00 178.25 1mrq n TYR 196 N -3.05 0.29 -3.03 0.65 4.01 -1.26 -1.66 117.16 113.11 1mrq n TYR 196 Ca -0.02 0.09 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 1mrq n TYR 196 Cb 0.23 -0.49 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1mrq n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1mrq n PHE 197 N -1.81 -2.34 1.33 -0.72 -0.00 -0.29 -1.60 117.46 112.03 1mrq n PHE 197 Ca 0.05 -2.36 0.14 0.00 -0.00 0.00 0.00 57.45 55.28 1mrq n PHE 197 Cb 0.39 0.85 0.68 0.00 -0.00 0.00 0.00 39.48 41.40 1mrq n PHE 197 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1mrq n ASN 198 N 2.52 0.13 -2.61 -2.13 0.23 -0.92 -2.38 115.26 110.11 1mrq n ASN 198 Ca 0.21 -0.14 -0.20 0.00 -0.53 0.00 0.00 54.58 53.93 1mrq n ASN 198 Cb 0.54 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1mrq n ASN 198 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mrq n GLN 199 N -1.26 -2.66 -0.20 -3.83 1.13 -1.26 -4.83 117.38 104.47 1mrq n GLN 199 Ca 0.13 0.89 0.00 0.00 -1.94 0.00 0.00 57.00 56.08 1mrq n GLN 199 Cb 0.27 -5.60 0.09 0.00 0.11 0.00 0.00 30.24 25.11 1mrq n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1mrq h ARG 200 N -0.39 0.08 -0.32 -1.09 9.65 -1.99 0.15 114.38 120.48 1mrq h ARG 200 Ca -0.47 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.37 1mrq h ARG 200 Cb 1.34 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 1mrq h ARG 200 CO 0.54 0.06 0.04 0.87 2.80 0.00 0.00 179.97 184.27 1mrq h LYS 201 N 0.09 0.53 -0.45 0.20 1.57 -2.00 -1.08 116.57 115.43 1mrq h LYS 201 Ca 0.31 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1mrq h LYS 201 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1mrq h LYS 201 CO -0.55 0.63 -0.20 1.25 -0.57 0.00 0.00 179.45 180.01 1mrq h LEU 202 N 0.35 0.92 -0.02 2.94 5.85 -1.77 -1.35 115.31 122.23 1mrq h LEU 202 Ca 0.09 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1mrq h LEU 202 Cb 0.37 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1mrq h LEU 202 CO 0.01 1.09 -0.12 0.25 -0.34 0.00 0.00 178.44 179.33 1mrq h LEU 203 N 0.78 -0.34 -0.81 2.25 5.85 -0.56 0.73 115.31 123.21 1mrq h LEU 203 Ca 0.11 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1mrq h LEU 203 Cb 0.75 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1mrq h LEU 203 CO 0.06 -0.16 0.53 0.44 -0.34 0.00 0.00 178.44 178.96 1mrq h ASP 204 N -0.19 0.89 -0.24 1.25 3.32 -1.06 -1.04 116.42 119.36 1mrq h ASP 204 Ca 0.05 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1mrq h ASP 204 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1mrq h ASP 204 CO -0.13 0.63 0.10 0.15 -1.72 0.00 0.00 179.24 178.27 1mrq h PHE 205 N 1.05 0.36 -0.46 4.55 3.57 -0.86 -1.35 116.94 123.81 1mrq h PHE 205 Ca 0.31 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1mrq h PHE 205 Cb -0.06 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1mrq h PHE 205 CO -0.02 0.38 0.26 0.00 -2.23 0.00 0.00 178.31 176.69 1mrq h LYS 207 N 0.51 1.12 0.00 0.00 3.64 -1.01 0.47 116.57 121.30 1mrq h LYS 207 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1mrq h LYS 207 Cb 0.05 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1mrq h LYS 207 CO -0.11 0.74 0.00 0.66 -2.27 0.00 0.00 179.45 178.48 1mrq h SER 208 N 1.16 0.00 -0.27 4.20 4.64 -0.62 -2.63 113.55 120.02 1mrq h SER 208 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1mrq h SER 208 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1mrq h SER 208 CO -0.15 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.10 1mrq n LYS 209 N -3.05 2.90 -3.08 4.77 4.76 -0.44 -4.98 118.16 119.04 1mrq n LYS 209 Ca -0.02 -1.94 -0.18 0.00 -2.87 0.00 0.00 58.31 53.30 1mrq n LYS 209 Cb 0.15 -1.21 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 1mrq n LYS 209 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mrq n ASP 210 N 0.30 -5.34 -4.39 4.39 2.03 -0.88 -5.01 116.55 107.65 1mrq n ASP 210 Ca 0.09 -0.31 -0.34 0.00 0.52 0.00 0.00 54.79 54.75 1mrq n ASP 210 Cb 0.39 -4.08 -0.14 0.00 -0.72 0.00 0.00 41.12 36.58 1mrq n ASP 210 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mrq s ILE 211 N -3.14 3.33 0.09 5.18 1.01 0.03 -4.48 121.20 123.22 1mrq s ILE 211 Ca 0.34 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1mrq s ILE 211 Cb -0.15 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1mrq s ILE 211 CO 0.42 0.50 1.00 -0.69 0.00 0.00 0.00 174.94 176.17 1mrq s VAL 212 N 0.58 4.46 -0.19 2.92 1.01 -0.54 -3.55 120.40 125.09 1mrq s VAL 212 Ca -0.06 1.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 1mrq s VAL 212 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1mrq s VAL 212 CO 0.03 0.26 0.57 -0.22 0.00 0.00 0.00 175.10 175.74 1mrq s LEU 213 N 0.27 4.16 -0.21 3.92 0.20 -1.26 -0.91 118.68 124.84 1mrq s LEU 213 Ca 0.49 0.77 -0.05 0.00 0.69 0.00 0.00 54.13 56.03 1mrq s LEU 213 Cb -0.24 -2.80 -0.02 0.00 -0.43 0.00 0.00 46.19 42.70 1mrq s LEU 213 CO 0.30 -0.21 0.00 -0.69 -0.29 0.00 0.00 176.35 175.46 1mrq s VAL 214 N 1.67 3.91 -0.23 1.68 1.01 -0.85 -1.95 120.40 125.63 1mrq s VAL 214 Ca 0.27 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1mrq s VAL 214 Cb -0.16 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1mrq s VAL 214 CO 0.10 0.42 0.64 0.00 0.00 0.00 0.00 175.10 176.26 1mrq s ALA 215 N 1.15 3.59 0.29 5.51 0.00 0.11 -0.81 121.76 131.60 1mrq s ALA 215 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.70 1mrq s ALA 215 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1mrq s ALA 215 CO 0.01 -0.73 0.25 1.52 0.00 0.00 0.00 175.76 176.82 1mrq s TYR 216 N 2.32 3.02 -1.46 0.00 -0.85 -0.10 -1.54 117.35 118.75 1mrq s TYR 216 Ca 0.27 -0.20 -0.12 0.00 -0.52 0.00 0.00 57.07 56.50 1mrq s TYR 216 Cb -0.16 -1.60 0.09 0.00 0.38 0.00 0.00 41.96 40.67 1mrq s TYR 216 CO 0.09 0.35 0.71 0.43 -1.52 0.00 0.00 175.55 175.61 1mrq n SER 217 N -1.28 -4.18 0.14 -0.18 7.64 -1.26 -1.87 113.62 112.62 1mrq n SER 217 Ca -0.05 -0.62 0.12 0.00 1.01 0.00 0.00 58.87 59.34 1mrq n SER 217 Cb 0.59 -3.40 0.50 0.00 -1.01 0.00 0.00 64.21 60.88 1mrq n SER 217 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mrq n ALA 218 N -4.04 1.71 -0.63 -0.43 0.00 -1.25 -1.52 120.51 114.35 1mrq n ALA 218 Ca 0.02 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1mrq n ALA 218 Cb 0.53 -1.41 0.29 0.00 0.00 0.00 0.00 19.45 18.87 1mrq n ALA 218 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mrq n LEU 219 N -2.29 4.19 0.00 0.00 4.77 -1.26 -4.72 117.00 117.68 1mrq n LEU 219 Ca 0.02 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 1mrq n LEU 219 Cb 0.25 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1mrq n LEU 219 CO 0.21 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1mrq n GLY 220 N 0.58 0.86 0.00 -0.72 0.00 -0.58 -4.45 105.19 100.88 1mrq n GLY 220 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1mrq n GLY 220 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mrq n SER 221 N 0.00 0.00 0.22 1.61 3.41 -1.22 -4.56 113.62 113.08 1mrq n SER 221 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1mrq n SER 221 Cb 0.00 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.68 1mrq n SER 221 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1mrq h HIS 222 N 0.00 0.00 -3.46 7.33 2.07 -1.95 -3.47 115.15 115.68 1mrq h HIS 222 Ca 0.00 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 1mrq h HIS 222 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1mrq h HIS 222 CO 0.00 0.00 -0.46 0.54 -3.07 0.00 0.00 177.93 174.94 1mrq n ARG 223 N -2.62 -2.10 -2.35 5.12 1.74 -1.26 -4.93 116.66 110.25 1mrq n ARG 223 Ca -0.00 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 1mrq n ARG 223 Cb 0.15 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.07 1mrq n ARG 223 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1mrq s GLU 224 N -5.10 4.35 0.39 5.56 2.12 -1.26 -4.78 118.70 119.98 1mrq s GLU 224 Ca 0.02 1.82 -0.23 0.00 0.36 0.00 0.00 54.97 56.94 1mrq s GLU 224 Cb -0.01 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 1mrq s GLU 224 CO 0.03 -0.44 0.96 -1.21 -0.54 0.00 0.00 175.26 174.06 1mrq s GLU 225 N 1.90 4.34 -0.12 4.30 2.02 -1.26 -1.31 118.70 128.57 1mrq s GLU 225 Ca 0.60 1.23 0.13 0.00 0.02 0.00 0.00 54.97 56.94 1mrq s GLU 225 Cb -0.29 -2.43 0.58 0.00 0.10 0.00 0.00 34.13 32.09 1mrq s GLU 225 CO 0.26 0.06 1.43 -0.35 0.02 0.00 0.00 175.26 176.68 1mrq n PRO 226 N -0.18 3.39 0.18 0.39 -0.04 -1.26 -4.89 135.00 132.60 1mrq n PRO 226 Ca 0.05 -2.26 0.03 0.00 -0.04 0.00 0.00 63.50 61.28 1mrq n PRO 226 Cb 0.52 -1.86 0.34 0.00 -0.04 0.00 0.00 33.50 32.46 1mrq n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1mrq h TRP 227 N 3.10 0.00 -3.38 0.54 -0.00 -1.66 -3.41 115.95 111.14 1mrq h TRP 227 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 58.89 58.22 1mrq h TRP 227 Cb 1.33 0.00 -0.33 0.00 -0.00 0.00 0.00 29.16 30.16 1mrq h TRP 227 CO 0.68 0.40 -0.87 0.08 -0.00 0.00 0.00 178.44 178.72 1mrq s VAL 228 N -4.06 1.98 -0.04 1.49 1.01 -0.43 -4.31 120.40 116.04 1mrq s VAL 228 Ca -0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 1mrq s VAL 228 Cb 0.14 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.73 1mrq s VAL 228 CO 0.72 0.54 1.99 -0.62 0.00 0.00 0.00 175.10 177.73 1mrq s ASP 229 N 0.34 6.24 0.41 3.32 2.15 -1.26 -4.39 116.67 123.48 1mrq s ASP 229 Ca -0.18 2.43 0.29 0.00 0.43 0.00 0.00 52.55 55.52 1mrq s ASP 229 Cb -0.18 -2.53 1.38 0.00 -0.30 0.00 0.00 42.92 41.30 1mrq s ASP 229 CO 0.08 -1.26 1.87 1.55 -0.17 0.00 0.00 175.17 177.25 1mrq h PRO 230 N 11.52 0.00 -0.02 4.34 0.13 -1.94 -2.11 132.00 143.92 1mrq h PRO 230 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1mrq h PRO 230 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1mrq h PRO 230 CO 0.95 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.73 1mrq n ASN 231 N -2.57 1.77 -4.75 1.44 3.02 -1.26 -4.93 115.26 107.98 1mrq n ASN 231 Ca -0.00 -1.50 -0.37 0.00 -0.03 0.00 0.00 54.58 52.68 1mrq n ASN 231 Cb 0.16 0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1mrq n ASN 231 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1mrq s SER 232 N -2.12 5.31 0.44 6.41 1.04 -0.80 -4.97 113.70 119.02 1mrq s SER 232 Ca 0.32 2.45 -0.25 0.00 0.48 0.00 0.00 55.95 58.95 1mrq s SER 232 Cb 0.20 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.64 1mrq s SER 232 CO 0.38 -1.52 1.35 -2.16 0.98 0.00 0.00 173.24 172.27 1mrq s PRO 233 N -3.18 3.75 -0.41 4.02 0.04 -1.26 -4.96 135.00 133.01 1mrq s PRO 233 Ca 0.75 2.24 -0.25 0.00 0.04 0.00 0.00 61.00 63.78 1mrq s PRO 233 Cb -0.32 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1mrq s PRO 233 CO 0.36 -0.70 0.91 0.08 0.04 0.00 0.00 177.00 177.69 1mrq s VAL 234 N -1.26 4.55 0.20 -0.36 1.01 -1.26 -4.95 120.40 118.33 1mrq s VAL 234 Ca 0.61 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1mrq s VAL 234 Cb -0.40 -4.36 0.14 0.00 0.00 0.00 0.00 36.38 31.76 1mrq s VAL 234 CO 0.51 -0.65 1.71 0.25 0.00 0.00 0.00 175.10 176.91 1mrq h LEU 235 N 10.25 -0.03 0.00 3.92 5.85 -1.86 -1.76 115.31 131.68 1mrq h LEU 235 Ca -0.24 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1mrq h LEU 235 Cb 1.08 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1mrq h LEU 235 CO 0.99 0.01 0.00 0.18 -0.34 0.00 0.00 178.44 179.28 1mrq n LEU 236 N -5.14 0.00 -0.83 2.25 4.77 -1.26 -1.45 117.00 115.34 1mrq n LEU 236 Ca 0.07 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 1mrq n LEU 236 Cb 0.29 -0.31 0.29 0.00 -2.33 0.00 0.00 43.42 41.35 1mrq n LEU 236 CO 0.18 -0.14 0.73 -0.62 -1.33 0.00 0.00 177.39 176.21 1mrq n GLU 237 N -1.31 2.11 -1.69 3.23 1.02 -0.66 -4.84 120.64 118.48 1mrq n GLU 237 Ca 0.07 -1.65 -0.42 0.00 -0.02 0.00 0.00 57.16 55.14 1mrq n GLU 237 Cb 0.14 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1mrq n GLU 237 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1mrq n ASP 238 N 0.90 4.01 -0.05 1.62 -0.08 -0.53 -4.89 116.55 117.54 1mrq n ASP 238 Ca 0.17 1.00 0.07 0.00 -1.51 0.00 0.00 54.79 54.52 1mrq n ASP 238 Cb 0.48 -1.54 0.44 0.00 2.34 0.00 0.00 41.12 42.84 1mrq n ASP 238 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1mrq h PRO 239 N 8.30 0.51 -0.05 -0.67 0.11 -1.93 -1.11 132.00 137.16 1mrq h PRO 239 Ca -0.46 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1mrq h PRO 239 Cb 1.22 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1mrq h PRO 239 CO 0.95 0.34 -0.40 0.28 -0.21 0.00 0.00 178.00 178.96 1mrq h VAL 240 N 0.53 1.43 -0.99 3.15 2.07 -1.98 -0.91 116.25 119.55 1mrq h VAL 240 Ca 0.21 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 65.93 1mrq h VAL 240 Cb 0.18 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1mrq h VAL 240 CO -0.06 0.53 0.65 -0.07 0.02 0.00 0.00 177.57 178.64 1mrq h LEU 241 N -0.14 1.07 -0.43 2.57 3.38 -1.88 -0.31 115.31 119.56 1mrq h LEU 241 Ca -0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1mrq h LEU 241 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1mrq h LEU 241 CO 0.08 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.29 1mrq h ALA 243 N 0.89 0.86 -0.55 0.00 0.00 -0.75 -1.46 119.26 118.25 1mrq h ALA 243 Ca 0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1mrq h ALA 243 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1mrq h ALA 243 CO 0.03 0.54 -0.05 -0.07 0.00 0.00 0.00 179.25 179.70 1mrq h LEU 244 N 0.96 0.98 -0.49 0.00 3.38 -0.97 -1.81 115.31 117.35 1mrq h LEU 244 Ca 0.21 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1mrq h LEU 244 Cb 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1mrq h LEU 244 CO -0.01 1.06 0.24 0.00 0.09 0.00 0.00 178.44 179.82 1mrq h ALA 245 N 1.03 0.62 -0.60 1.53 0.00 -0.79 -1.58 119.26 119.47 1mrq h ALA 245 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1mrq h ALA 245 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1mrq h ALA 245 CO 0.04 -0.12 0.17 0.87 0.00 0.00 0.00 179.25 180.20 1mrq h LYS 246 N 0.46 0.94 -0.71 0.00 1.57 -1.00 0.18 116.57 118.02 1mrq h LYS 246 Ca 0.22 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mrq h LYS 246 Cb 0.15 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1mrq h LYS 246 CO -0.17 0.85 0.44 -0.22 -0.57 0.00 0.00 179.45 179.79 1mrq h LYS 247 N 0.86 0.95 -0.01 3.15 3.64 -1.03 -2.79 116.57 121.34 1mrq h LYS 247 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1mrq h LYS 247 Cb 0.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mrq h LYS 247 CO -0.00 0.66 -0.19 0.72 -2.27 0.00 0.00 179.45 178.37 1mrq n HIS 248 N -4.56 0.00 -3.59 1.91 8.25 -0.62 -4.95 115.22 111.66 1mrq n HIS 248 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1mrq n HIS 248 Cb 0.04 -0.10 0.07 0.00 1.12 0.00 0.00 29.99 31.12 1mrq n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1mrq n LYS 249 N -0.49 -6.98 0.00 -0.41 5.02 0.17 -5.00 118.16 110.48 1mrq n LYS 249 Ca 0.14 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1mrq n LYS 249 Cb 0.34 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 1mrq n LYS 249 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1mrq n ARG 250 N -4.62 2.96 -4.09 1.97 5.12 0.41 -5.03 116.66 113.39 1mrq n ARG 250 Ca -0.11 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.73 1mrq n ARG 250 Cb 0.60 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.80 1mrq n ARG 250 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1mrq s THR 251 N 2.76 0.23 0.28 0.55 -4.23 -1.26 -4.63 115.64 109.34 1mrq s THR 251 Ca 0.00 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1mrq s THR 251 Cb 0.00 -1.44 0.27 0.00 1.34 0.00 0.00 72.50 72.67 1mrq s THR 251 CO 0.00 -0.96 1.81 -0.65 -0.54 0.00 0.00 174.62 174.28 1mrq h PRO 252 N 3.25 0.86 -0.53 3.99 0.11 -1.90 -1.29 132.00 136.48 1mrq h PRO 252 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1mrq h PRO 252 Cb 1.15 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1mrq h PRO 252 CO 0.64 0.57 0.35 0.00 -0.21 0.00 0.00 178.00 179.35 1mrq h ALA 253 N 1.55 0.67 -0.67 -0.75 0.00 -1.93 -1.13 119.26 117.00 1mrq h ALA 253 Ca 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1mrq h ALA 253 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mrq h ALA 253 CO -0.30 0.12 0.25 -0.07 0.00 0.00 0.00 179.25 179.25 1mrq h LEU 254 N 0.72 0.92 -0.48 0.00 3.38 -1.67 -1.02 115.31 117.15 1mrq h LEU 254 Ca 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mrq h LEU 254 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1mrq h LEU 254 CO -0.04 0.84 0.21 0.40 0.09 0.00 0.00 178.44 179.93 1mrq h ILE 255 N 0.98 1.20 -0.66 1.22 1.08 -0.94 -0.75 117.51 119.64 1mrq h ILE 255 Ca 0.22 -0.61 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 1mrq h ILE 255 Cb 0.22 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1mrq h ILE 255 CO -0.02 0.23 0.20 0.00 -0.69 0.00 0.00 178.15 177.87 1mrq h ALA 256 N 1.05 1.09 -0.29 1.87 0.00 -0.75 -1.11 119.26 121.13 1mrq h ALA 256 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1mrq h ALA 256 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mrq h ALA 256 CO -0.02 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.48 1mrq h LEU 257 N 0.98 0.76 -0.86 0.00 3.38 -1.07 -3.22 115.31 115.29 1mrq h LEU 257 Ca 0.22 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1mrq h LEU 257 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1mrq h LEU 257 CO -0.01 1.08 0.04 -0.09 0.09 0.00 0.00 178.44 179.55 1mrq h ARG 258 N 0.45 0.89 -0.49 1.13 9.65 -0.87 -2.37 114.38 122.77 1mrq h ARG 258 Ca 0.04 -0.23 0.10 0.00 -1.10 0.00 0.00 59.98 58.79 1mrq h ARG 258 Cb 0.87 -0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.26 1mrq h ARG 258 CO 0.07 0.86 -0.06 -0.92 2.80 0.00 0.00 179.97 182.73 1mrq h TYR 259 N 0.83 -0.14 -0.36 2.20 3.20 -1.24 -1.40 116.97 120.06 1mrq h TYR 259 Ca 0.16 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1mrq h TYR 259 Cb 0.44 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1mrq h TYR 259 CO 0.03 -0.16 0.05 1.96 -1.64 0.00 0.00 178.16 178.39 1mrq h GLN 260 N 0.06 0.61 -0.86 1.82 1.08 -1.45 -2.87 115.11 113.50 1mrq h GLN 260 Ca 0.24 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 1mrq h GLN 260 Cb 0.37 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 1mrq h GLN 260 CO -0.45 0.69 0.56 -0.07 -0.95 0.00 0.00 178.83 178.60 1mrq h LEU 261 N 0.44 0.85 0.00 1.46 3.38 -0.99 -1.66 115.31 118.80 1mrq h LEU 261 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mrq h LEU 261 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mrq h LEU 261 CO 0.01 0.55 -0.02 0.00 0.09 0.00 0.00 178.44 179.07 1mrq n GLN 262 N -4.48 0.12 -0.31 1.13 6.02 -0.58 -3.26 117.38 116.02 1mrq n GLN 262 Ca 0.13 0.09 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 1mrq n GLN 262 Cb 0.20 -1.63 0.24 0.00 1.02 0.00 0.00 30.24 30.06 1mrq n GLN 262 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1mrq n ARG 263 N -1.83 2.94 -0.60 -1.09 1.85 -0.82 -4.96 116.66 112.15 1mrq n ARG 263 Ca 0.06 -2.40 0.00 0.00 -1.00 0.00 0.00 57.85 54.51 1mrq n ARG 263 Cb 0.38 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 1mrq n ARG 263 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1mrq n GLY 264 N 0.89 0.64 3.77 2.89 0.00 -1.13 -5.06 105.19 107.18 1mrq n GLY 264 Ca 0.18 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1mrq n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrq s VAL 265 N -2.00 4.93 -0.06 1.61 1.01 -0.69 -4.72 120.40 120.48 1mrq s VAL 265 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1mrq s VAL 265 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1mrq s VAL 265 CO 0.00 0.60 0.73 -0.69 0.00 0.00 0.00 175.10 175.74 1mrq s VAL 266 N -0.82 5.02 -0.08 2.92 1.01 -0.82 -3.90 120.40 123.72 1mrq s VAL 266 Ca 0.13 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1mrq s VAL 266 Cb -0.12 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1mrq s VAL 266 CO 0.03 0.25 -0.23 0.54 0.00 0.00 0.00 175.10 175.69 1mrq s VAL 267 N 0.80 2.23 0.29 2.92 0.11 -0.32 0.05 120.40 126.47 1mrq s VAL 267 Ca 0.39 -0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 58.43 1mrq s VAL 267 Cb -0.18 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 1mrq s VAL 267 CO 0.19 0.56 0.52 -0.76 -3.33 0.00 0.00 175.10 172.28 1mrq s LEU 268 N 0.08 4.08 -0.19 2.54 1.43 -0.59 -0.73 118.68 125.31 1mrq s LEU 268 Ca -0.10 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1mrq s LEU 268 Cb -0.16 -3.40 0.09 0.00 0.03 0.00 0.00 46.19 42.75 1mrq s LEU 268 CO 0.06 -0.19 0.33 0.00 0.23 0.00 0.00 176.35 176.78 1mrq s ALA 269 N -2.10 -0.81 -0.10 4.21 0.00 -0.05 -4.45 121.76 118.47 1mrq s ALA 269 Ca 0.42 0.98 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 1mrq s ALA 269 Cb -0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1mrq s ALA 269 CO 0.31 -0.91 0.47 0.21 0.00 0.00 0.00 175.76 175.84 1mrq s LYS 270 N 2.49 4.28 -0.16 0.00 2.36 -1.26 -1.54 119.74 125.91 1mrq s LYS 270 Ca 0.04 0.44 -0.15 0.00 -2.55 0.00 0.00 55.97 53.76 1mrq s LYS 270 Cb -0.13 -3.40 0.04 0.00 -1.05 0.00 0.00 37.83 33.29 1mrq s LYS 270 CO -0.12 0.25 0.43 0.45 1.55 0.00 0.00 175.35 177.91 1mrq s SER 271 N 0.32 -0.44 -0.02 1.43 0.15 -1.26 -4.95 113.70 108.93 1mrq s SER 271 Ca 0.25 0.86 0.12 0.00 0.70 0.00 0.00 55.95 57.88 1mrq s SER 271 Cb -0.15 0.87 0.36 0.00 -1.71 0.00 0.00 66.02 65.38 1mrq s SER 271 CO 0.11 -0.15 1.30 -1.22 1.20 0.00 0.00 173.24 174.48 1mrq n TYR 272 N 2.85 0.56 -3.79 3.44 4.02 -1.26 -4.83 117.16 118.16 1mrq n TYR 272 Ca -0.13 -0.54 -0.36 0.00 -0.01 0.00 0.00 57.90 56.86 1mrq n TYR 272 Cb 0.57 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.73 1mrq n TYR 272 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1mrq s ASN 273 N -1.09 5.81 0.23 7.72 3.84 -1.26 -4.83 114.94 125.35 1mrq s ASN 273 Ca 0.27 0.05 -0.07 0.00 0.21 0.00 0.00 52.86 53.33 1mrq s ASN 273 Cb 0.15 -2.03 0.37 0.00 -0.55 0.00 0.00 41.25 39.19 1mrq s ASN 273 CO 0.16 0.09 1.73 -0.08 -2.79 0.00 0.00 177.10 176.21 1mrq h GLU 274 N 7.35 0.40 -0.38 0.43 4.81 -1.98 0.15 114.58 125.35 1mrq h GLU 274 Ca -0.38 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1mrq h GLU 274 Cb 1.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1mrq h GLU 274 CO 0.66 0.26 -0.07 1.96 -0.73 0.00 0.00 179.01 181.09 1mrq h GLN 275 N 0.41 0.71 -0.09 1.92 7.50 -1.99 -2.63 115.11 120.94 1mrq h GLN 275 Ca 0.36 -0.26 -0.16 0.00 0.50 0.00 0.00 58.65 59.09 1mrq h GLN 275 Cb 0.51 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1mrq h GLN 275 CO -0.37 0.85 -0.62 0.00 -1.50 0.00 0.00 178.83 177.19 1mrq h ARG 276 N 0.52 0.32 -0.42 1.46 3.08 -1.79 -0.91 114.38 116.63 1mrq h ARG 276 Ca 0.10 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1mrq h ARG 276 Cb 0.58 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1mrq h ARG 276 CO 0.03 0.84 0.28 0.82 -1.07 0.00 0.00 179.97 180.88 1mrq h ILE 277 N 0.24 1.10 -0.21 2.04 2.04 -0.71 -0.84 117.51 121.16 1mrq h ILE 277 Ca -0.01 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1mrq h ILE 277 Cb 1.15 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1mrq h ILE 277 CO 0.10 0.10 -0.34 0.03 0.00 0.00 0.00 178.15 178.05 1mrq h ARG 278 N 0.57 0.45 -0.51 2.37 3.08 -1.32 -3.06 114.38 115.96 1mrq h ARG 278 Ca 0.16 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1mrq h ARG 278 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1mrq h ARG 278 CO -0.04 0.73 0.15 0.37 -1.07 0.00 0.00 179.97 180.11 1mrq h GLN 279 N 0.39 0.80 -0.19 0.04 4.15 -0.79 -3.25 115.11 116.26 1mrq h GLN 279 Ca 0.05 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1mrq h GLN 279 Cb 0.78 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1mrq h GLN 279 CO 0.06 0.75 0.03 -0.91 -1.93 0.00 0.00 178.83 176.83 1mrq h ASN 280 N 0.69 0.23 0.62 -0.69 2.35 -1.05 -0.31 115.58 117.41 1mrq h ASN 280 Ca 0.16 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1mrq h ASN 280 Cb 0.30 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1mrq h ASN 280 CO -0.00 0.26 0.00 1.33 -1.65 0.00 0.00 177.43 177.37 1mrq n VAL 281 N -4.41 0.75 1.52 2.81 0.24 -1.23 -2.53 118.33 115.49 1mrq n VAL 281 Ca -0.00 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.61 1mrq n VAL 281 Cb 0.15 -0.88 0.74 0.00 -1.47 0.00 0.00 33.84 32.38 1mrq n VAL 281 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mrq n GLN 282 N -1.50 0.71 0.19 7.34 6.02 -0.13 -3.55 117.38 126.46 1mrq n GLN 282 Ca 0.04 0.01 0.17 0.00 -0.01 0.00 0.00 57.00 57.22 1mrq n GLN 282 Cb 0.21 -1.50 0.81 0.00 1.02 0.00 0.00 30.24 30.78 1mrq n GLN 282 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1mrq h VAL 283 N 0.00 0.47 -0.00 5.09 3.04 -1.66 -0.94 116.25 122.25 1mrq h VAL 283 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1mrq h VAL 283 Cb 0.05 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1mrq h VAL 283 CO 0.00 0.00 -0.01 0.49 -1.01 0.00 0.00 177.57 177.04 1mrq n PHE 284 N -3.81 0.00 0.89 3.17 3.72 -1.23 -3.99 117.46 116.20 1mrq n PHE 284 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 1mrq n PHE 284 Cb 0.36 -0.14 0.21 0.00 -0.94 0.00 0.00 39.48 38.98 1mrq n PHE 284 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1mrq n GLU 285 N -1.10 0.08 -4.15 -1.08 1.02 -0.36 -4.23 120.64 110.82 1mrq n GLU 285 Ca 0.19 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1mrq n GLU 285 Cb 0.19 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 1mrq n GLU 285 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1mrq s PHE 286 N -3.05 0.98 0.01 -0.32 -0.71 -1.26 -5.14 117.98 108.49 1mrq s PHE 286 Ca 0.10 -1.22 0.03 0.00 -1.04 0.00 0.00 56.93 54.80 1mrq s PHE 286 Cb 0.16 -0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1mrq s PHE 286 CO 0.71 -0.77 -0.09 -0.65 -1.34 0.00 0.00 175.22 173.08 1mrq s GLN 287 N -4.02 0.70 0.10 1.99 -0.21 -1.26 -5.04 119.66 111.92 1mrq s GLN 287 Ca 0.34 -0.43 -0.15 0.00 0.02 0.00 0.00 55.36 55.14 1mrq s GLN 287 Cb 0.04 -0.66 -0.07 0.00 1.00 0.00 0.00 33.01 33.33 1mrq s GLN 287 CO 0.13 0.17 0.52 -0.51 -2.12 0.00 0.00 175.29 173.48 1mrq s LEU 288 N -0.52 4.41 0.79 2.90 1.43 -1.26 -5.09 118.68 121.34 1mrq s LEU 288 Ca 0.01 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 1mrq s LEU 288 Cb -0.05 -3.04 0.07 0.00 0.03 0.00 0.00 46.19 43.20 1mrq s LEU 288 CO 0.00 0.19 1.09 0.42 0.23 0.00 0.00 176.35 178.28 1mrq s THR 289 N -1.31 3.14 0.24 5.49 -4.23 -1.26 -4.84 115.64 112.87 1mrq s THR 289 Ca 0.33 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1mrq s THR 289 Cb -0.16 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.81 1mrq s THR 289 CO 0.18 -0.48 1.88 0.28 -0.54 0.00 0.00 174.62 175.94 1mrq h SER 290 N -1.09 0.96 -0.99 3.99 0.02 -1.99 -0.61 113.55 113.84 1mrq h SER 290 Ca -0.47 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1mrq h SER 290 Cb 1.26 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 1mrq h SER 290 CO 0.58 0.65 0.64 -0.08 -1.14 0.00 0.00 176.83 177.48 1mrq h GLU 291 N 1.12 1.32 -0.23 3.45 4.81 -1.99 -1.43 114.58 121.61 1mrq h GLU 291 Ca 0.37 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1mrq h GLU 291 Cb 0.04 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1mrq h GLU 291 CO -0.13 0.89 -0.53 0.93 -0.73 0.00 0.00 179.01 179.43 1mrq h GLU 292 N 1.35 0.68 -0.89 1.92 5.08 -1.74 -1.63 114.58 119.35 1mrq h GLU 292 Ca 0.36 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1mrq h GLU 292 Cb -0.13 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1mrq h GLU 292 CO -0.07 1.04 0.55 0.52 -1.00 0.00 0.00 179.01 180.05 1mrq h MET 293 N 0.53 1.21 -0.63 2.33 2.86 -0.84 -0.57 114.93 119.82 1mrq h MET 293 Ca 0.01 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1mrq h MET 293 Cb 1.10 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1mrq h MET 293 CO 0.11 0.84 0.28 -0.22 1.06 0.00 0.00 176.91 178.97 1mrq h LYS 294 N 1.23 0.93 -0.74 1.72 3.64 -1.07 -0.14 116.57 122.14 1mrq h LYS 294 Ca 0.32 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1mrq h LYS 294 Cb -0.07 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 1mrq h LYS 294 CO -0.06 0.77 0.48 0.00 -2.27 0.00 0.00 179.45 178.37 1mrq h ALA 295 N 1.12 0.94 -0.36 5.00 0.00 -0.68 -2.14 119.26 123.14 1mrq h ALA 295 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1mrq h ALA 295 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1mrq h ALA 295 CO -0.02 0.37 -0.19 0.82 0.00 0.00 0.00 179.25 180.23 1mrq h ILE 296 N 1.00 1.26 -0.78 0.00 2.04 -0.76 -2.27 117.51 118.00 1mrq h ILE 296 Ca 0.27 -1.24 0.11 0.00 1.00 0.00 0.00 64.86 65.00 1mrq h ILE 296 Cb -0.10 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1mrq h ILE 296 CO -0.06 0.41 0.51 0.44 0.00 0.00 0.00 178.15 179.45 1mrq h ASP 297 N 0.59 0.58 0.60 1.72 3.32 -0.41 -1.40 116.42 121.42 1mrq h ASP 297 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1mrq h ASP 297 Cb 0.65 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1mrq h ASP 297 CO 0.05 0.33 0.00 1.23 -1.72 0.00 0.00 179.24 179.13 1mrq h GLY 298 N 0.64 0.00 2.00 2.75 0.00 -0.81 -2.89 103.07 104.75 1mrq h GLY 298 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1mrq h GLY 298 CO -0.14 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.44 1mrq n LEU 299 N -2.68 0.73 -4.63 3.11 4.77 -0.53 -4.84 117.00 112.94 1mrq n LEU 299 Ca 0.00 0.65 -0.51 0.00 -0.03 0.00 0.00 56.01 56.12 1mrq n LEU 299 Cb 0.20 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1mrq n LEU 299 CO 0.21 -0.47 1.08 -3.20 -1.33 0.00 0.00 177.39 173.68 1mrq n ASN 300 N -2.27 2.24 -0.48 -1.43 5.15 -0.66 -4.40 115.26 113.40 1mrq n ASN 300 Ca 0.03 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1mrq n ASN 300 Cb 0.29 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 1mrq n ASN 300 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1mrq n ARG 301 N 3.49 0.00 -3.77 1.20 1.85 -0.62 -5.00 116.66 113.81 1mrq n ARG 301 Ca 0.20 -0.70 -0.27 0.00 -1.00 0.00 0.00 57.85 56.08 1mrq n ARG 301 Cb 0.21 -0.36 0.05 0.00 -1.05 0.00 0.00 32.46 31.32 1mrq n ARG 301 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1mrq n ASN 302 N 0.00 -5.35 -4.35 2.89 5.15 -0.89 -4.96 115.26 107.75 1mrq n ASN 302 Ca 0.00 -0.68 -0.44 0.00 -0.60 0.00 0.00 54.58 52.87 1mrq n ASN 302 Cb 0.64 -4.40 -0.08 0.00 -0.53 0.00 0.00 39.78 35.41 1mrq n ASN 302 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mrq s VAL 303 N -3.32 4.99 -0.37 3.44 1.01 -1.03 -5.04 120.40 120.08 1mrq s VAL 303 Ca 0.61 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1mrq s VAL 303 Cb -0.29 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1mrq s VAL 303 CO 0.79 -0.61 0.32 -0.60 0.00 0.00 0.00 175.10 174.99 1mrq s ARG 304 N 1.58 3.31 0.04 2.72 3.52 -1.26 -4.28 118.95 124.58 1mrq s ARG 304 Ca 0.04 -0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 1mrq s ARG 304 Cb -0.25 -3.88 -0.15 0.00 -1.56 0.00 0.00 34.95 29.11 1mrq s ARG 304 CO 0.05 -0.61 1.29 1.88 -0.81 0.00 0.00 175.30 177.10 1mrq h TYR 305 N 8.56 0.59 -3.73 5.12 0.05 -1.95 -3.39 116.97 122.21 1mrq h TYR 305 Ca -0.29 -0.22 -0.77 0.00 0.05 0.00 0.00 58.73 57.51 1mrq h TYR 305 Cb 1.14 -0.11 -0.28 0.00 1.01 0.00 0.00 36.73 38.48 1mrq h TYR 305 CO 0.63 0.93 0.03 -0.51 -1.05 0.00 0.00 178.16 178.20 1mrq s LEU 306 N -8.85 6.37 0.30 3.88 1.43 -1.26 -4.31 118.68 116.23 1mrq s LEU 306 Ca -0.13 -2.87 0.16 0.00 -1.03 0.00 0.00 54.13 50.25 1mrq s LEU 306 Cb 0.06 -2.13 0.23 0.00 0.03 0.00 0.00 46.19 44.38 1mrq s LEU 306 CO 0.79 -0.48 1.52 0.71 0.23 0.00 0.00 176.35 179.12 1mrq h THR 307 N 4.73 0.94 -4.81 5.49 1.35 -1.77 -3.47 112.91 115.37 1mrq h THR 307 Ca 0.09 -2.11 -0.30 0.00 -0.55 0.00 0.00 66.41 63.54 1mrq h THR 307 Cb 1.00 2.31 -0.05 0.00 -1.73 0.00 0.00 68.15 69.68 1mrq h THR 307 CO 0.77 0.50 -0.43 0.18 -0.25 0.00 0.00 175.52 176.29 1mrq n LEU 308 N -3.33 -1.30 0.00 3.87 4.77 -1.26 -4.80 117.00 114.95 1mrq n LEU 308 Ca 0.01 -0.11 0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1mrq n LEU 308 Cb 0.68 -2.06 0.35 0.00 -2.33 0.00 0.00 43.42 40.07 1mrq n LEU 308 CO 0.40 0.04 0.68 -0.90 -1.33 0.00 0.00 177.39 176.28 1mrq n ASP 309 N -2.06 0.00 0.29 -1.43 5.68 -1.26 -1.20 116.55 116.57 1mrq n ASP 309 Ca -0.06 0.05 0.17 0.00 -0.50 0.00 0.00 54.79 54.45 1mrq n ASP 309 Cb 0.56 -0.27 0.86 0.00 -1.14 0.00 0.00 41.12 41.14 1mrq n ASP 309 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1mrq h ILE 310 N 0.00 0.26 -0.48 2.12 3.07 -2.00 -1.92 117.51 118.55 1mrq h ILE 310 Ca 0.00 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1mrq h ILE 310 Cb 0.12 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 1mrq h ILE 310 CO 0.00 0.05 0.00 0.49 -1.05 0.00 0.00 178.15 177.64 1mrq n PHE 311 N -3.34 0.63 -1.93 0.16 3.72 -0.34 -4.92 117.46 111.45 1mrq n PHE 311 Ca -0.02 -0.32 -0.35 0.00 -0.05 0.00 0.00 57.45 56.72 1mrq n PHE 311 Cb 0.21 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1mrq n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mrq s ALA 312 N -1.37 2.49 0.00 4.37 0.00 -0.72 -4.29 121.76 122.24 1mrq s ALA 312 Ca 0.39 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1mrq s ALA 312 Cb 0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1mrq s ALA 312 CO 0.29 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1mrq n GLY 313 N 0.30 2.17 3.69 0.00 0.00 -1.26 -5.07 105.19 105.01 1mrq n GLY 313 Ca 0.13 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1mrq n GLY 313 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mrq n PRO 314 N 0.00 1.19 0.27 1.61 -0.02 -1.26 -4.88 135.00 131.92 1mrq n PRO 314 Ca 0.00 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.11 1mrq n PRO 314 Cb 0.00 -2.40 0.94 0.00 -0.02 0.00 0.00 33.50 32.02 1mrq n PRO 314 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1mrq h PRO 315 N 0.78 0.00 0.00 0.52 0.11 -1.99 -1.27 132.00 130.15 1mrq h PRO 315 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1mrq h PRO 315 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1mrq h PRO 315 CO 0.53 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 1mrq n ASN 316 N -3.58 0.00 -4.65 -2.05 5.03 -1.26 -4.77 115.26 103.97 1mrq n ASN 316 Ca -0.01 -0.39 -0.42 0.00 0.87 0.00 0.00 54.58 54.63 1mrq n ASN 316 Cb 0.20 -0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 1mrq n ASN 316 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1mrq s TYR 317 N -2.37 1.33 -0.51 3.10 5.04 -0.48 -4.36 117.35 119.11 1mrq s TYR 317 Ca 0.32 -0.31 0.24 0.00 -2.44 0.00 0.00 57.07 54.88 1mrq s TYR 317 Cb 0.19 -4.19 0.44 0.00 0.35 0.00 0.00 41.96 38.75 1mrq s TYR 317 CO 0.39 -5.28 1.61 -1.00 -1.34 0.00 0.00 175.55 169.94 1mrq h PRO 318 N 10.91 0.00 -0.30 4.97 0.13 -1.86 -3.37 132.00 142.49 1mrq h PRO 318 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1mrq h PRO 318 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1mrq h PRO 318 CO 0.94 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.90 1mrq n PHE 319 N -2.84 0.38 0.02 1.56 3.72 -1.26 -4.10 117.46 114.94 1mrq n PHE 319 Ca 0.04 -0.19 -0.18 0.00 -0.05 0.00 0.00 57.45 57.07 1mrq n PHE 319 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.97 1mrq n PHE 319 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1mrq h SER 320 N 3.47 0.86 -4.21 4.37 0.02 -1.99 -3.45 113.55 112.63 1mrq h SER 320 Ca 0.00 -0.63 -0.52 0.00 -0.84 0.00 0.00 61.79 59.79 1mrq h SER 320 Cb 0.77 -0.26 0.14 0.00 0.14 0.00 0.00 62.40 63.19 1mrq h SER 320 CO 0.00 1.43 0.36 -1.81 -1.14 0.00 0.00 176.83 175.67 1mrq s ASP 321 N -7.18 4.30 0.23 3.07 1.01 -1.26 -4.92 116.67 111.92 1mrq s ASP 321 Ca -0.09 2.19 -0.07 0.00 0.71 0.00 0.00 52.55 55.28 1mrq s ASP 321 Cb 0.08 -2.57 0.38 0.00 1.01 0.00 0.00 42.92 41.82 1mrq s ASP 321 CO 0.91 -2.18 1.70 -0.08 0.21 0.00 0.00 175.17 175.72 1mrq h GLU 322 N -0.49 0.26 0.00 8.23 4.81 -1.93 -3.52 114.58 121.95 1mrq h GLU 322 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1mrq h GLU 322 Cb 1.27 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1mrq h GLU 322 CO 0.50 0.17 0.00 2.48 -0.73 0.00 0.00 179.01 181.43