#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9y s ARG 2 N 0.00 3.03 -0.03 0.03 0.52 -1.26 -0.79 118.95 120.45 1a9y s ARG 2 Ca 0.00 -0.96 0.05 0.00 -0.52 0.00 0.00 55.73 54.29 1a9y s ARG 2 Cb 0.00 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 1a9y s ARG 2 CO 0.00 -0.68 -0.17 0.54 0.02 0.00 0.00 175.30 175.01 1a9y s VAL 3 N 1.66 1.38 -0.27 3.52 0.11 -0.44 0.06 120.40 126.42 1a9y s VAL 3 Ca 0.04 -0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 58.25 1a9y s VAL 3 Cb -0.19 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1a9y s VAL 3 CO 0.09 0.40 0.33 -0.22 -3.33 0.00 0.00 175.10 172.37 1a9y s LEU 4 N -0.10 4.04 -0.42 2.54 2.96 -0.46 -1.55 118.68 125.69 1a9y s LEU 4 Ca -0.00 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1a9y s LEU 4 Cb -0.10 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.34 1a9y s LEU 4 CO 0.01 -0.14 0.24 -0.69 -1.32 0.00 0.00 176.35 174.45 1a9y s VAL 5 N 1.93 3.72 0.37 1.68 1.01 0.35 0.09 120.40 129.54 1a9y s VAL 5 Ca 0.13 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 1a9y s VAL 5 Cb -0.16 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1a9y s VAL 5 CO 0.10 -0.62 0.98 0.42 0.00 0.00 0.00 175.10 175.98 1a9y s THR 6 N 1.27 4.08 -1.46 3.92 -4.23 -0.06 -1.52 115.64 117.64 1a9y s THR 6 Ca 0.05 1.59 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 1a9y s THR 6 Cb -0.23 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1a9y s THR 6 CO -0.02 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1a9y n GLY 7 N 0.25 1.33 0.27 3.99 0.00 0.94 -2.14 105.19 109.83 1a9y n GLY 7 Ca 0.04 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.88 1a9y n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a9y h GLY 8 N 0.00 0.00 -0.22 -0.02 0.00 -1.63 -1.02 103.07 100.17 1a9y h GLY 8 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1a9y h GLY 8 CO 0.42 0.00 -0.21 -1.14 0.00 0.00 0.00 176.54 175.60 1a9y n SER 9 N -2.80 1.39 -3.05 0.19 3.41 -1.26 -1.88 113.62 109.63 1a9y n SER 9 Ca -0.02 -1.18 -0.16 0.00 -0.26 0.00 0.00 58.87 57.24 1a9y n SER 9 Cb 0.08 0.14 0.12 0.00 -0.26 0.00 0.00 64.21 64.29 1a9y n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a9y n GLY 10 N 1.31 -1.69 0.15 5.00 0.00 -0.39 -4.63 105.19 104.96 1a9y n GLY 10 Ca 0.13 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1a9y n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a9y h TYR 11 N -1.62 -0.44 -0.11 1.61 3.20 -1.88 0.12 116.97 117.84 1a9y h TYR 11 Ca -0.23 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.47 1a9y h TYR 11 Cb 0.66 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1a9y h TYR 11 CO 0.00 -0.20 -0.68 0.82 -1.64 0.00 0.00 178.16 176.46 1a9y h ILE 12 N -0.29 1.36 -0.71 1.81 2.04 -1.94 -3.16 117.51 116.62 1a9y h ILE 12 Ca -0.01 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 63.76 1a9y h ILE 12 Cb 0.26 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1a9y h ILE 12 CO -0.04 0.62 0.19 1.23 0.00 0.00 0.00 178.15 180.15 1a9y h GLY 13 N 1.19 1.21 1.00 5.37 0.00 -1.74 -1.36 103.07 108.73 1a9y h GLY 13 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1a9y h GLY 13 CO 0.12 0.69 0.37 1.48 0.00 0.00 0.00 176.54 179.20 1a9y h SER 14 N 1.06 0.76 -0.38 0.19 4.64 -0.01 0.81 113.55 120.63 1a9y h SER 14 Ca 0.23 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1a9y h SER 14 Cb 0.35 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1a9y h SER 14 CO -0.00 0.61 -0.13 0.45 -0.87 0.00 0.00 176.83 176.89 1a9y h HIS 15 N 0.85 0.93 -0.31 4.77 -0.00 -1.49 -2.27 115.15 117.63 1a9y h HIS 15 Ca 0.22 -0.18 -0.11 0.00 -0.00 0.00 0.00 60.37 60.30 1a9y h HIS 15 Cb -0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1a9y h HIS 15 CO -0.02 0.91 -0.26 1.15 -0.00 0.00 0.00 177.93 179.72 1a9y h THR 16 N 0.75 1.27 -0.45 2.45 2.02 -0.63 -2.46 112.91 115.86 1a9y h THR 16 Ca 0.12 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 1a9y h THR 16 Cb 0.64 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1a9y h THR 16 CO 0.04 0.44 0.19 0.00 0.37 0.00 0.00 175.52 176.56 1a9y h VAL 18 N 0.59 0.97 -0.79 0.00 2.07 -1.17 -0.93 116.25 116.99 1a9y h VAL 18 Ca 0.15 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1a9y h VAL 18 Cb 0.17 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1a9y h VAL 18 CO -0.01 0.09 0.39 1.56 0.02 0.00 0.00 177.57 179.63 1a9y h GLN 19 N 0.52 1.11 -0.27 1.57 1.08 -0.99 -1.18 115.11 116.95 1a9y h GLN 19 Ca 0.22 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1a9y h GLN 19 Cb 0.12 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1a9y h GLN 19 CO -0.15 0.84 0.13 -0.07 -0.95 0.00 0.00 178.83 178.63 1a9y h LEU 20 N 1.11 0.35 -1.15 1.46 3.38 -0.39 -2.13 115.31 117.95 1a9y h LEU 20 Ca 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1a9y h LEU 20 Cb 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1a9y h LEU 20 CO -0.04 0.38 0.33 -0.07 0.09 0.00 0.00 178.44 179.13 1a9y h LEU 21 N 0.30 0.83 -1.34 1.67 3.38 -1.00 -1.52 115.31 117.63 1a9y h LEU 21 Ca 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1a9y h LEU 21 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1a9y h LEU 21 CO -0.01 0.69 -0.04 1.56 0.09 0.00 0.00 178.44 180.74 1a9y h GLN 22 N 0.92 0.40 -0.48 1.13 1.08 -0.77 -1.30 115.11 116.10 1a9y h GLN 22 Ca 0.23 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1a9y h GLN 22 Cb 0.07 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1a9y h GLN 22 CO -0.03 0.46 0.00 0.09 -0.95 0.00 0.00 178.83 178.39 1a9y n ASN 23 N -4.30 1.94 -1.60 1.46 4.13 -0.65 -4.91 115.26 111.33 1a9y n ASN 23 Ca 0.01 -2.12 -0.15 0.00 1.68 0.00 0.00 54.58 53.99 1a9y n ASN 23 Cb 0.24 -0.32 -0.02 0.00 -1.54 0.00 0.00 39.78 38.13 1a9y n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a9y n GLY 24 N 0.69 0.23 3.91 7.41 0.00 -0.49 -4.97 105.19 111.99 1a9y n GLY 24 Ca 0.10 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1a9y n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9y s HIS 25 N -2.72 3.16 -0.35 1.61 3.76 -0.76 -4.66 115.29 115.33 1a9y s HIS 25 Ca 0.00 0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 55.44 1a9y s HIS 25 Cb 0.00 -2.95 -0.01 0.00 1.11 0.00 0.00 32.58 30.73 1a9y s HIS 25 CO 0.00 -1.08 0.23 -0.51 -0.85 0.00 0.00 174.74 172.53 1a9y s ASP 26 N -4.38 5.98 -0.12 1.40 1.01 0.03 -4.49 116.67 116.10 1a9y s ASP 26 Ca 0.57 -0.52 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 1a9y s ASP 26 Cb -0.11 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1a9y s ASP 26 CO 0.46 -0.26 0.02 -0.69 0.21 0.00 0.00 175.17 174.91 1a9y s VAL 27 N 1.69 4.48 -0.17 -1.27 1.01 -1.26 -1.33 120.40 123.56 1a9y s VAL 27 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1a9y s VAL 27 Cb -0.18 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1a9y s VAL 27 CO 0.10 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 1a9y s ILE 28 N -0.41 1.63 -0.08 2.22 1.09 -0.60 0.05 121.20 125.10 1a9y s ILE 28 Ca 0.08 -0.77 -0.11 0.00 -1.10 0.00 0.00 60.65 58.75 1a9y s ILE 28 Cb -0.12 -1.58 -0.05 0.00 -1.06 0.00 0.00 42.46 39.65 1a9y s ILE 28 CO 0.02 0.37 0.28 -0.63 -0.10 0.00 0.00 174.94 174.88 1a9y s ILE 29 N 1.44 5.27 -0.16 2.92 1.01 0.43 -0.50 121.20 131.61 1a9y s ILE 29 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1a9y s ILE 29 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1a9y s ILE 29 CO -0.10 0.56 -0.10 -0.22 0.00 0.00 0.00 174.94 175.08 1a9y s LEU 30 N -0.78 1.78 -0.04 2.97 1.98 -0.58 -0.44 118.68 123.57 1a9y s LEU 30 Ca 0.19 -0.63 -0.15 0.00 -2.89 0.00 0.00 54.13 50.65 1a9y s LEU 30 Cb -0.14 -1.08 0.03 0.00 0.66 0.00 0.00 46.19 45.66 1a9y s LEU 30 CO 0.08 -0.13 0.33 -0.62 -1.89 0.00 0.00 176.35 174.12 1a9y s ASP 31 N 1.53 -0.23 0.00 3.68 -1.08 -0.90 -0.04 116.67 119.62 1a9y s ASP 31 Ca 0.02 0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.51 1a9y s ASP 31 Cb -0.14 0.39 0.35 0.00 -1.46 0.00 0.00 42.92 42.05 1a9y s ASP 31 CO -0.09 -0.39 1.33 -0.46 0.52 0.00 0.00 175.17 176.08 1a9y n ASN 32 N 1.56 2.29 -1.87 -0.34 2.04 -1.05 -2.00 115.26 115.88 1a9y n ASN 32 Ca -0.20 -1.68 -0.20 0.00 -0.44 0.00 0.00 54.58 52.06 1a9y n ASN 32 Cb 0.56 0.14 -0.05 0.00 -2.53 0.00 0.00 39.78 37.90 1a9y n ASN 32 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1a9y n LEU 33 N 0.59 -1.66 0.23 -4.53 4.77 -1.26 -4.85 117.00 110.29 1a9y n LEU 33 Ca 0.13 0.27 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1a9y n LEU 33 Cb 0.50 -2.81 0.43 0.00 -2.33 0.00 0.00 43.42 39.20 1a9y n LEU 33 CO 0.20 -0.69 0.85 0.00 -1.33 0.00 0.00 177.39 176.42 1a9y n ASN 35 N -3.19 0.63 -3.62 0.00 5.15 -1.26 -5.08 115.26 107.89 1a9y n ASN 35 Ca 0.01 -2.01 -0.12 0.00 -0.60 0.00 0.00 54.58 51.87 1a9y n ASN 35 Cb 0.44 -0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.45 1a9y n ASN 35 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1a9y s SER 36 N -1.16 0.34 0.10 1.20 1.04 -1.25 -4.89 113.70 109.07 1a9y s SER 36 Ca 0.06 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 55.35 1a9y s SER 36 Cb 0.06 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 1a9y s SER 36 CO 0.01 -1.23 -0.17 -0.54 0.98 0.00 0.00 173.24 172.29 1a9y s LYS 37 N -3.50 0.98 0.60 4.02 1.02 -1.26 -4.60 119.74 116.99 1a9y s LYS 37 Ca 0.26 -1.10 0.35 0.00 0.02 0.00 0.00 55.97 55.51 1a9y s LYS 37 Cb -0.00 -1.06 1.89 0.00 -0.52 0.00 0.00 37.83 38.14 1a9y s LYS 37 CO 0.14 0.23 2.21 0.00 -0.92 0.00 0.00 175.35 177.02 1a9y h ARG 38 N 4.03 0.00 0.00 1.68 3.08 -1.97 -2.54 114.38 118.66 1a9y h ARG 38 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1a9y h ARG 38 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1a9y h ARG 38 CO 0.42 0.03 0.07 -1.13 -1.07 0.00 0.00 179.97 178.30 1a9y n SER 39 N -3.39 0.31 0.08 7.04 3.41 -1.26 -1.05 113.62 118.74 1a9y n SER 39 Ca -0.02 0.61 -0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1a9y n SER 39 Cb 0.15 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1a9y n SER 39 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1a9y h VAL 40 N 0.00 0.82 -0.61 -3.33 3.04 -1.81 -3.38 116.25 110.98 1a9y h VAL 40 Ca 0.00 -2.31 0.12 0.00 -1.01 0.00 0.00 66.70 63.50 1a9y h VAL 40 Cb 0.14 2.32 -0.09 0.00 -2.01 0.00 0.00 31.29 31.65 1a9y h VAL 40 CO 0.00 0.47 0.09 -0.07 -1.01 0.00 0.00 177.57 177.05 1a9y h LEU 41 N 0.00 -0.09 -0.48 3.16 3.38 -1.31 0.13 115.31 120.10 1a9y h LEU 41 Ca -0.09 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1a9y h LEU 41 Cb 1.56 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1a9y h LEU 41 CO 0.07 -0.04 0.29 -0.65 0.09 0.00 0.00 178.44 178.20 1a9y h PRO 42 N 0.21 0.56 -0.60 1.13 0.11 -1.75 -0.26 132.00 131.40 1a9y h PRO 42 Ca 0.32 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.42 1a9y h PRO 42 Cb 0.50 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 1a9y h PRO 42 CO -0.45 0.37 0.37 0.28 -0.21 0.00 0.00 178.00 178.36 1a9y h VAL 43 N 0.58 1.07 -0.74 3.15 2.07 -1.42 0.16 116.25 121.12 1a9y h VAL 43 Ca 0.19 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1a9y h VAL 43 Cb 0.01 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1a9y h VAL 43 CO -0.08 0.13 0.33 0.40 0.02 0.00 0.00 177.57 178.37 1a9y h ILE 44 N 0.72 1.24 0.01 4.57 2.04 -0.30 -0.69 117.51 125.11 1a9y h ILE 44 Ca 0.24 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1a9y h ILE 44 Cb 0.02 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1a9y h ILE 44 CO -0.10 0.30 -0.01 -0.08 0.00 0.00 0.00 178.15 178.26 1a9y h GLU 45 N 1.04 -0.02 0.54 2.37 4.81 -0.16 0.35 114.58 123.51 1a9y h GLU 45 Ca 0.25 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1a9y h GLU 45 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1a9y h GLU 45 CO -0.03 0.10 -0.34 -0.09 -0.73 0.00 0.00 179.01 177.92 1a9y h ARG 46 N -0.12 -0.80 -0.00 1.92 2.43 -0.57 0.31 114.38 117.54 1a9y h ARG 46 Ca -0.00 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1a9y h ARG 46 Cb 0.12 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1a9y h ARG 46 CO 0.00 -0.53 -0.20 -0.07 -1.51 0.00 0.00 179.97 177.66 1a9y h LEU 47 N -0.83 0.00 0.00 3.80 3.38 -1.14 -2.46 115.31 118.06 1a9y h LEU 47 Ca -0.06 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1a9y h LEU 47 Cb 0.68 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1a9y h LEU 47 CO 0.06 0.20 -0.42 1.23 0.09 0.00 0.00 178.44 179.60 1a9y h GLY 48 N 0.60 0.00 -0.73 0.83 0.00 -0.02 -3.48 103.07 100.27 1a9y h GLY 48 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1a9y h GLY 48 CO 0.03 0.00 -0.19 0.61 0.00 0.00 0.00 176.54 176.99 1a9y n GLY 49 N 1.18 0.66 3.53 4.60 0.00 0.11 -3.48 105.19 111.79 1a9y n GLY 49 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1a9y n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a9y s LYS 50 N -3.38 0.85 -0.15 1.61 2.20 -1.03 -5.01 119.74 114.83 1a9y s LYS 50 Ca 0.00 0.04 -0.23 0.00 -0.36 0.00 0.00 55.97 55.42 1a9y s LYS 50 Cb 0.00 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1a9y s LYS 50 CO 0.00 -0.30 0.71 -1.58 -0.36 0.00 0.00 175.35 173.81 1a9y s HIS 51 N -1.78 3.44 0.01 4.03 5.65 -1.26 -4.39 115.29 121.00 1a9y s HIS 51 Ca -0.03 1.11 -0.03 0.00 0.25 0.00 0.00 55.06 56.36 1a9y s HIS 51 Cb -0.00 -2.86 -0.04 0.00 -1.18 0.00 0.00 32.58 28.49 1a9y s HIS 51 CO 0.01 -0.12 0.21 -1.25 -0.65 0.00 0.00 174.74 172.93 1a9y s PRO 52 N 1.68 3.46 0.11 2.88 0.04 -1.26 -4.72 135.00 137.19 1a9y s PRO 52 Ca 0.34 -0.31 -0.28 0.00 0.04 0.00 0.00 61.00 60.79 1a9y s PRO 52 Cb -0.16 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 1a9y s PRO 52 CO 0.13 0.65 0.87 0.99 0.04 0.00 0.00 177.00 179.67 1a9y s THR 53 N -1.37 4.52 -0.10 1.26 2.01 0.11 -4.90 115.64 117.15 1a9y s THR 53 Ca 0.29 1.87 0.02 0.00 0.31 0.00 0.00 61.69 64.19 1a9y s THR 53 Cb -0.13 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 1a9y s THR 53 CO 0.21 0.38 -0.18 0.12 -0.69 0.00 0.00 174.62 174.46 1a9y s PHE 54 N -0.31 2.68 -0.09 4.92 5.36 -1.26 0.16 117.98 129.44 1a9y s PHE 54 Ca 0.42 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1a9y s PHE 54 Cb -0.23 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 1a9y s PHE 54 CO 0.27 -0.23 -0.09 0.08 -1.46 0.00 0.00 175.22 173.79 1a9y s VAL 55 N 0.17 1.07 -0.23 3.12 1.01 0.41 -4.95 120.40 121.00 1a9y s VAL 55 Ca -0.10 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 1a9y s VAL 55 Cb -0.16 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1a9y s VAL 55 CO 0.06 0.36 0.74 -0.70 0.00 0.00 0.00 175.10 175.56 1a9y s GLU 56 N 1.26 4.17 0.01 2.72 2.12 -1.26 -2.11 118.70 125.62 1a9y s GLU 56 Ca -0.03 0.78 -0.28 0.00 0.36 0.00 0.00 54.97 55.80 1a9y s GLU 56 Cb -0.14 -3.63 0.10 0.00 0.26 0.00 0.00 34.13 30.72 1a9y s GLU 56 CO -0.03 -0.43 1.25 0.20 -0.54 0.00 0.00 175.26 175.71 1a9y s GLY 57 N 1.35 -0.20 -0.01 -1.50 0.00 -0.85 -4.93 107.32 101.18 1a9y s GLY 57 Ca 0.32 0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.31 1a9y s GLY 57 CO 0.09 3.29 -0.20 -0.35 0.00 0.00 0.00 173.10 175.93 1a9y s ASP 58 N -3.47 3.59 0.65 1.64 -1.08 -1.26 -2.53 116.67 114.21 1a9y s ASP 58 Ca 0.23 -0.37 0.41 0.00 -0.52 0.00 0.00 52.55 52.30 1a9y s ASP 58 Cb 0.01 -0.58 2.25 0.00 -1.46 0.00 0.00 42.92 43.14 1a9y s ASP 58 CO -0.01 0.31 2.31 0.16 0.52 0.00 0.00 175.17 178.46 1a9y h ILE 59 N 4.29 0.10 0.00 4.11 3.07 -1.95 -0.92 117.51 126.22 1a9y h ILE 59 Ca -0.46 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1a9y h ILE 59 Cb 1.14 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1a9y h ILE 59 CO 0.48 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 178.12 1a9y n ARG 60 N -3.22 0.09 -2.87 0.16 1.74 -1.26 -3.95 116.66 107.36 1a9y n ARG 60 Ca -0.03 0.18 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 1a9y n ARG 60 Cb 0.11 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1a9y n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a9y s ASN 61 N -3.57 6.86 0.32 0.55 3.84 -0.35 -4.88 114.94 117.71 1a9y s ASN 61 Ca 0.10 -2.50 0.05 0.00 0.21 0.00 0.00 52.86 50.72 1a9y s ASN 61 Cb 0.13 -2.43 0.68 0.00 -0.55 0.00 0.00 41.25 39.08 1a9y s ASN 61 CO 0.46 -0.96 1.88 -0.08 -2.79 0.00 0.00 177.10 175.61 1a9y h GLU 62 N 7.96 0.83 -0.47 0.43 4.81 -1.83 -0.06 114.58 126.25 1a9y h GLU 62 Ca 0.27 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1a9y h GLU 62 Cb 0.93 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1a9y h GLU 62 CO 1.24 0.55 -0.11 0.00 -0.73 0.00 0.00 179.01 179.96 1a9y h ALA 63 N 1.56 0.65 -0.31 2.92 0.00 -1.93 -0.11 119.26 122.05 1a9y h ALA 63 Ca 0.43 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a9y h ALA 63 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a9y h ALA 63 CO -0.20 0.55 0.07 1.25 0.00 0.00 0.00 179.25 180.92 1a9y h LEU 64 N 0.76 0.48 -0.31 0.00 5.85 -1.73 -1.63 115.31 118.72 1a9y h LEU 64 Ca 0.12 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1a9y h LEU 64 Cb 0.66 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1a9y h LEU 64 CO 0.05 0.60 -0.07 0.24 -0.34 0.00 0.00 178.44 178.91 1a9y h MET 65 N 0.34 0.01 -0.89 1.25 2.86 -0.78 0.66 114.93 118.37 1a9y h MET 65 Ca 0.10 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1a9y h MET 65 Cb 0.31 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1a9y h MET 65 CO 0.00 0.01 0.57 1.15 1.06 0.00 0.00 176.91 179.70 1a9y h THR 66 N 0.01 1.14 -0.59 2.22 2.02 -0.88 -0.48 112.91 116.36 1a9y h THR 66 Ca 0.15 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1a9y h THR 66 Cb 0.22 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1a9y h THR 66 CO -0.31 0.20 -0.04 -0.08 0.37 0.00 0.00 175.52 175.66 1a9y h GLU 67 N 1.12 1.06 -0.31 6.66 4.81 -0.29 -1.79 114.58 125.84 1a9y h GLU 67 Ca 0.35 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1a9y h GLU 67 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1a9y h GLU 67 CO -0.12 1.06 0.11 0.82 -0.73 0.00 0.00 179.01 180.14 1a9y h ILE 68 N 0.96 1.20 -0.69 2.32 2.04 -0.26 0.30 117.51 123.38 1a9y h ILE 68 Ca 0.16 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1a9y h ILE 68 Cb 0.60 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1a9y h ILE 68 CO 0.04 0.21 0.45 -0.07 0.00 0.00 0.00 178.15 178.78 1a9y h LEU 69 N 0.35 0.71 0.03 1.44 3.38 -0.91 -1.03 115.31 119.28 1a9y h LEU 69 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a9y h LEU 69 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1a9y h LEU 69 CO -0.00 0.49 -0.02 0.45 0.09 0.00 0.00 178.44 179.45 1a9y h HIS 70 N 0.82 -0.04 -0.92 1.13 3.86 -0.91 -1.89 115.15 117.20 1a9y h HIS 70 Ca 0.27 -0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.74 1a9y h HIS 70 Cb 0.07 0.01 -0.14 0.00 1.06 0.00 0.00 27.41 28.41 1a9y h HIS 70 CO -0.00 0.41 0.34 -0.44 0.86 0.00 0.00 177.93 179.10 1a9y h ASP 71 N -0.98 0.17 -0.52 2.45 3.32 -0.26 0.32 116.42 120.92 1a9y h ASP 71 Ca -0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1a9y h ASP 71 Cb 0.47 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1a9y h ASP 71 CO 0.01 -0.14 0.00 1.41 -1.72 0.00 0.00 179.24 178.80 1a9y n HIS 72 N -5.16 0.93 -4.10 4.55 8.25 -0.40 -4.94 115.22 114.34 1a9y n HIS 72 Ca 0.24 -0.41 -0.28 0.00 -0.26 0.00 0.00 57.72 57.02 1a9y n HIS 72 Cb 0.77 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.73 1a9y n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a9y n ALA 73 N 0.94 -1.99 -1.76 -1.41 0.00 0.11 -4.85 120.51 111.55 1a9y n ALA 73 Ca 0.19 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1a9y n ALA 73 Cb 0.58 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.78 1a9y n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a9y s ILE 74 N -4.10 2.16 -0.18 0.00 -1.09 -0.74 -4.77 121.20 112.48 1a9y s ILE 74 Ca 0.02 0.14 0.11 0.00 -2.23 0.00 0.00 60.65 58.69 1a9y s ILE 74 Cb -0.01 -3.08 -0.18 0.00 -1.58 0.00 0.00 42.46 37.60 1a9y s ILE 74 CO 0.93 0.02 -0.02 0.47 -1.23 0.00 0.00 174.94 175.11 1a9y n ASP 75 N -0.29 1.35 -3.70 3.58 8.00 0.11 -4.88 116.55 120.72 1a9y n ASP 75 Ca 0.06 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 1a9y n ASP 75 Cb 0.43 0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 41.99 1a9y n ASP 75 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1a9y s THR 76 N -2.41 0.05 -0.05 -3.53 -1.32 -1.02 -4.08 115.64 103.28 1a9y s THR 76 Ca -0.14 -0.44 0.04 0.00 -1.21 0.00 0.00 61.69 59.94 1a9y s THR 76 Cb 0.06 -0.80 -0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1a9y s THR 76 CO 0.62 -0.24 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.93 1a9y s VAL 77 N -1.80 1.45 -0.26 5.08 1.01 -0.74 -1.36 120.40 123.78 1a9y s VAL 77 Ca -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1a9y s VAL 77 Cb -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1a9y s VAL 77 CO 0.02 0.42 0.01 -0.63 0.00 0.00 0.00 175.10 174.92 1a9y s ILE 78 N 0.17 3.49 -0.79 2.22 1.01 0.11 -1.19 121.20 126.22 1a9y s ILE 78 Ca -0.07 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 1a9y s ILE 78 Cb -0.13 -2.74 0.21 0.00 0.01 0.00 0.00 42.46 39.81 1a9y s ILE 78 CO 0.03 0.21 0.70 -2.28 0.00 0.00 0.00 174.94 173.60 1a9y s HIS 79 N 1.44 3.69 -0.52 3.97 2.46 -0.06 -0.88 115.29 125.40 1a9y s HIS 79 Ca 0.03 -2.19 0.22 0.00 0.47 0.00 0.00 55.06 53.58 1a9y s HIS 79 Cb -0.16 -3.67 -0.25 0.00 -0.13 0.00 0.00 32.58 28.37 1a9y s HIS 79 CO -0.01 -0.95 0.72 1.19 -2.47 0.00 0.00 174.74 173.22 1a9y n PHE 80 N 3.81 0.03 -1.83 3.88 3.72 -0.91 -2.65 117.46 123.50 1a9y n PHE 80 Ca 0.13 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 1a9y n PHE 80 Cb 0.45 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1a9y n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9y s ALA 81 N -3.26 3.62 0.00 4.37 0.00 -1.16 -4.79 121.76 120.55 1a9y s ALA 81 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1a9y s ALA 81 Cb 0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1a9y s ALA 81 CO 0.88 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1a9y n GLY 82 N 1.10 -0.44 3.90 0.00 0.00 -1.26 -4.94 105.19 103.55 1a9y n GLY 82 Ca 0.03 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1a9y n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9y s LEU 83 N 0.00 4.34 0.00 0.99 1.43 -1.26 -5.04 118.68 119.14 1a9y s LEU 83 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1a9y s LEU 83 Cb 0.00 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1a9y s LEU 83 CO 0.00 0.23 0.49 2.29 0.23 0.00 0.00 176.35 179.59 1a9y n LYS 84 N 0.73 0.03 -2.58 1.70 2.85 -1.26 -4.95 118.16 114.67 1a9y n LYS 84 Ca -0.09 -0.49 -0.43 0.00 -1.05 0.00 0.00 58.31 56.25 1a9y n LYS 84 Cb 0.52 -0.51 -0.02 0.00 -0.65 0.00 0.00 35.03 34.37 1a9y n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1a9y s ALA 85 N -0.01 3.07 0.12 0.58 0.00 -1.26 -4.92 121.76 119.34 1a9y s ALA 85 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1a9y s ALA 85 Cb 0.00 -3.97 -0.07 0.00 0.00 0.00 0.00 23.12 19.07 1a9y s ALA 85 CO 0.00 -2.48 1.60 0.28 0.00 0.00 0.00 175.76 175.16 1a9y h VAL 86 N 6.21 0.23 -0.54 0.00 2.07 -1.99 -0.26 116.25 121.96 1a9y h VAL 86 Ca -0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1a9y h VAL 86 Cb 1.06 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1a9y h VAL 86 CO 1.16 0.00 0.19 1.23 0.02 0.00 0.00 177.57 180.17 1a9y h GLY 87 N -0.55 0.73 0.67 2.17 0.00 -1.99 -2.31 103.07 101.79 1a9y h GLY 87 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.34 1a9y h GLY 87 CO -0.27 -0.01 0.36 -2.09 0.00 0.00 0.00 176.54 174.53 1a9y h GLU 88 N 0.36 0.65 -0.88 4.80 4.81 -1.85 -1.80 114.58 120.67 1a9y h GLU 88 Ca 0.27 -0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.66 1a9y h GLU 88 Cb 0.31 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1a9y h GLU 88 CO -0.28 0.43 0.59 0.66 -0.73 0.00 0.00 179.01 179.68 1a9y h SER 89 N 0.67 0.35 -0.25 1.04 4.64 -0.48 1.27 113.55 120.79 1a9y h SER 89 Ca 0.30 0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 1a9y h SER 89 Cb 0.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1a9y h SER 89 CO -0.19 0.14 -0.56 0.58 -0.87 0.00 0.00 176.83 175.93 1a9y h VAL 90 N 0.35 1.28 0.00 0.95 2.07 -1.20 -1.95 116.25 117.74 1a9y h VAL 90 Ca 0.45 -1.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 1a9y h VAL 90 Cb 1.21 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1a9y h VAL 90 CO -0.15 0.57 -0.72 1.56 0.02 0.00 0.00 177.57 178.85 1a9y h GLN 91 N 0.64 0.00 -2.11 1.57 1.08 -0.65 -3.38 115.11 112.27 1a9y h GLN 91 Ca 0.01 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.66 1a9y h GLN 91 Cb 1.16 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.19 1a9y h GLN 91 CO 0.12 0.72 -0.92 1.63 -0.95 0.00 0.00 178.83 179.43 1a9y n LYS 92 N -3.32 1.79 -0.22 1.46 5.02 0.41 -4.97 118.16 118.33 1a9y n LYS 92 Ca 0.01 -3.97 0.02 0.00 -2.02 0.00 0.00 58.31 52.35 1a9y n LYS 92 Cb 0.81 -1.83 0.14 0.00 -0.02 0.00 0.00 35.03 34.12 1a9y n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1a9y h PRO 93 N 3.45 0.30 -0.75 1.97 0.13 -1.55 -3.05 132.00 132.51 1a9y h PRO 93 Ca 0.12 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.34 1a9y h PRO 93 Cb 0.77 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.75 1a9y h PRO 93 CO 0.64 0.20 0.38 -0.07 -0.23 0.00 0.00 178.00 178.91 1a9y h LEU 94 N 0.31 0.48 -1.07 1.56 3.38 -1.93 -0.25 115.31 117.79 1a9y h LEU 94 Ca 0.35 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1a9y h LEU 94 Cb 0.54 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1a9y h LEU 94 CO -0.42 0.26 0.48 -0.33 0.09 0.00 0.00 178.44 178.52 1a9y h GLU 95 N 0.62 1.12 0.04 1.13 5.08 -1.93 0.35 114.58 120.99 1a9y h GLU 95 Ca 0.38 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1a9y h GLU 95 Cb 0.44 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1a9y h GLU 95 CO -0.30 0.80 -0.02 1.88 -1.00 0.00 0.00 179.01 180.38 1a9y h TYR 96 N 1.14 -0.04 -0.64 4.33 -1.99 -1.26 -0.38 116.97 118.12 1a9y h TYR 96 Ca 0.29 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 1a9y h TYR 96 Cb -0.02 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1a9y h TYR 96 CO 0.01 0.45 0.36 1.88 -0.00 0.00 0.00 178.16 180.86 1a9y h TYR 97 N -0.57 0.85 0.09 4.88 0.05 -0.89 0.35 116.97 121.73 1a9y h TYR 97 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1a9y h TYR 97 Cb 0.52 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1a9y h TYR 97 CO 0.10 0.59 -0.04 0.22 -1.05 0.00 0.00 178.16 177.97 1a9y h ASP 98 N 0.89 -0.10 0.38 3.88 3.58 -0.27 0.93 116.42 125.72 1a9y h ASP 98 Ca 0.23 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 57.20 1a9y h ASP 98 Cb 0.00 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1a9y h ASP 98 CO -0.04 0.30 -0.57 0.78 -2.88 0.00 0.00 179.24 176.84 1a9y h ASN 99 N -0.53 0.21 0.05 2.28 2.35 -0.92 0.14 115.58 119.16 1a9y h ASN 99 Ca -0.01 -0.12 -0.35 0.00 -0.55 0.00 0.00 56.30 55.27 1a9y h ASN 99 Cb 0.44 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1a9y h ASN 99 CO 0.02 0.74 -2.01 0.59 -1.65 0.00 0.00 177.43 175.11 1a9y n ASN 100 N -3.89 2.01 -0.07 5.81 3.02 0.12 -3.21 115.26 119.04 1a9y n ASN 100 Ca -0.02 0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.66 1a9y n ASN 100 Cb 0.59 -0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1a9y n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1a9y h VAL 101 N -0.35 0.46 -0.50 2.41 2.07 -0.98 -2.96 116.25 116.40 1a9y h VAL 101 Ca -0.48 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.55 1a9y h VAL 101 Cb 1.77 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1a9y h VAL 101 CO -0.10 0.16 0.00 -1.13 0.02 0.00 0.00 177.57 176.52 1a9y h ASN 102 N -1.00 0.80 -0.50 0.57 -1.24 -0.99 -1.10 115.58 112.11 1a9y h ASN 102 Ca -0.05 -0.20 0.08 0.00 0.71 0.00 0.00 56.30 56.84 1a9y h ASN 102 Cb 0.50 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.27 1a9y h ASN 102 CO -0.03 0.86 0.15 1.23 -1.29 0.00 0.00 177.43 178.35 1a9y h GLY 103 N 0.98 0.65 1.38 1.57 0.00 -0.69 0.16 103.07 107.13 1a9y h GLY 103 Ca 0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1a9y h GLY 103 CO 0.02 -0.03 -0.42 -0.84 0.00 0.00 0.00 176.54 175.27 1a9y h THR 104 N 0.31 1.29 -0.44 4.70 2.02 -1.33 -2.60 112.91 116.87 1a9y h THR 104 Ca 0.25 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 1a9y h THR 104 Cb 0.30 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1a9y h THR 104 CO -0.28 0.51 0.17 0.25 0.37 0.00 0.00 175.52 176.54 1a9y h LEU 105 N 0.55 0.61 -1.15 2.58 5.85 -0.27 -0.81 115.31 122.67 1a9y h LEU 105 Ca 0.04 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1a9y h LEU 105 Cb 0.96 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1a9y h LEU 105 CO 0.09 0.62 0.29 0.03 -0.34 0.00 0.00 178.44 179.13 1a9y h ARG 106 N 0.56 0.88 -0.08 1.25 2.47 -0.67 -0.83 114.38 117.96 1a9y h ARG 106 Ca 0.14 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1a9y h ARG 106 Cb 0.20 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1a9y h ARG 106 CO -0.01 0.69 -0.05 1.25 0.56 0.00 0.00 179.97 182.41 1a9y h LEU 107 N 0.88 0.19 -1.22 3.04 5.85 -1.09 -1.61 115.31 121.35 1a9y h LEU 107 Ca 0.22 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1a9y h LEU 107 Cb 0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1a9y h LEU 107 CO -0.03 0.58 -0.35 0.16 -0.34 0.00 0.00 178.44 178.47 1a9y h ILE 108 N -0.20 1.02 -0.43 4.05 3.07 -1.06 0.12 117.51 124.07 1a9y h ILE 108 Ca 0.02 -1.30 -0.14 0.00 1.55 0.00 0.00 64.86 64.99 1a9y h ILE 108 Cb 0.51 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 1a9y h ILE 108 CO 0.01 0.34 -0.27 0.28 -1.05 0.00 0.00 178.15 177.47 1a9y h SER 109 N 0.00 0.96 -0.65 2.16 0.02 -1.08 0.26 113.55 115.22 1a9y h SER 109 Ca -0.00 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1a9y h SER 109 Cb 0.72 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1a9y h SER 109 CO 0.05 1.17 0.15 0.00 -1.14 0.00 0.00 176.83 177.05 1a9y h ALA 110 N 0.89 1.01 -0.27 3.77 0.00 -0.65 -1.46 119.26 122.56 1a9y h ALA 110 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1a9y h ALA 110 Cb 0.84 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1a9y h ALA 110 CO 0.07 0.64 0.16 0.52 0.00 0.00 0.00 179.25 180.65 1a9y h MET 111 N 1.01 0.33 -0.87 0.00 2.07 -0.41 0.19 114.93 117.25 1a9y h MET 111 Ca 0.21 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.90 1a9y h MET 111 Cb 0.37 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.96 1a9y h MET 111 CO 0.00 0.22 0.53 0.00 1.07 0.00 0.00 176.91 178.73 1a9y h ARG 112 N 0.34 0.90 -0.71 1.72 2.47 -0.64 -0.12 114.38 118.34 1a9y h ARG 112 Ca 0.10 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1a9y h ARG 112 Cb -0.02 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.07 1a9y h ARG 112 CO -0.04 0.60 0.25 0.00 0.56 0.00 0.00 179.97 181.35 1a9y h ALA 113 N 1.43 0.93 -0.42 0.04 0.00 -0.41 -2.72 119.26 118.11 1a9y h ALA 113 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a9y h ALA 113 Cb 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a9y h ALA 113 CO -0.20 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1a9y n ALA 114 N -2.42 2.48 -2.11 0.00 0.00 -0.03 -4.94 120.51 113.50 1a9y n ALA 114 Ca 0.05 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.57 1a9y n ALA 114 Cb 0.20 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1a9y n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a9y n ASN 115 N 0.73 -4.83 -4.70 0.00 3.02 -0.18 -4.90 115.26 104.40 1a9y n ASN 115 Ca 0.14 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 1a9y n ASN 115 Cb 0.38 -3.90 -0.08 0.00 -0.61 0.00 0.00 39.78 35.58 1a9y n ASN 115 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a9y s VAL 116 N -2.76 5.30 -0.05 2.41 1.01 -0.49 -4.98 120.40 120.84 1a9y s VAL 116 Ca 0.00 0.47 0.13 0.00 0.00 0.00 0.00 61.98 62.58 1a9y s VAL 116 Cb 0.00 -3.61 0.23 0.00 0.00 0.00 0.00 36.38 33.00 1a9y s VAL 116 CO 0.00 0.35 1.11 2.29 0.00 0.00 0.00 175.10 178.85 1a9y n LYS 117 N 3.95 0.43 -4.01 2.72 2.85 -1.26 -4.27 118.16 118.57 1a9y n LYS 117 Ca -0.12 -1.88 -0.34 0.00 -1.05 0.00 0.00 58.31 54.92 1a9y n LYS 117 Cb 0.52 -0.67 -0.15 0.00 -0.65 0.00 0.00 35.03 34.07 1a9y n LYS 117 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1a9y s ASN 118 N -1.92 3.80 0.00 -5.58 0.01 -1.26 -0.29 114.94 109.69 1a9y s ASN 118 Ca 0.21 -0.61 -0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1a9y s ASN 118 Cb 0.21 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 1a9y s ASN 118 CO -0.06 -0.03 0.03 0.12 -1.51 0.00 0.00 177.10 175.66 1a9y s PHE 119 N 1.36 0.09 -0.11 2.20 5.36 0.14 -1.79 117.98 125.23 1a9y s PHE 119 Ca 0.04 -0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1a9y s PHE 119 Cb -0.14 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.48 1a9y s PHE 119 CO -0.08 -0.14 -0.07 0.42 -1.46 0.00 0.00 175.22 173.89 1a9y s ILE 120 N -0.84 0.97 -0.10 3.12 1.01 -0.33 -0.46 121.20 124.57 1a9y s ILE 120 Ca -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1a9y s ILE 120 Cb -0.06 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1a9y s ILE 120 CO -0.00 0.36 -0.05 0.12 0.00 0.00 0.00 174.94 175.37 1a9y s PHE 121 N 1.68 3.01 -0.67 3.97 5.36 -0.14 -0.88 117.98 130.31 1a9y s PHE 121 Ca 0.04 -0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.68 1a9y s PHE 121 Cb -0.13 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 1a9y s PHE 121 CO -0.07 0.23 1.37 -1.12 -1.46 0.00 0.00 175.22 174.17 1a9y s SER 122 N -0.44 6.07 0.00 6.13 0.01 -1.09 -2.12 113.70 122.27 1a9y s SER 122 Ca 0.07 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1a9y s SER 122 Cb -0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1a9y s SER 122 CO 0.02 -1.84 0.00 -0.24 0.41 0.00 0.00 173.24 171.59 1a9y n SER 123 N 9.74 0.03 -3.61 2.44 2.88 0.15 -4.96 113.62 120.29 1a9y n SER 123 Ca 0.08 -0.71 -0.16 0.00 -1.33 0.00 0.00 58.87 56.75 1a9y n SER 123 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1a9y n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a9y s ALA 124 N -2.00 -1.45 0.35 -1.46 0.00 -1.26 -2.22 121.76 113.72 1a9y s ALA 124 Ca 0.00 1.11 0.24 0.00 0.00 0.00 0.00 51.96 53.30 1a9y s ALA 124 Cb 0.00 -0.14 1.28 0.00 0.00 0.00 0.00 23.12 24.26 1a9y s ALA 124 CO 0.00 -0.32 1.68 0.00 0.00 0.00 0.00 175.76 177.12 1a9y h ALA 125 N 3.61 1.24 0.00 0.00 0.00 -1.00 -1.07 119.26 122.04 1a9y h ALA 125 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1a9y h ALA 125 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a9y h ALA 125 CO 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 1a9y h THR 126 N 0.00 0.49 0.00 0.00 1.03 -1.94 -2.18 112.91 110.31 1a9y h THR 126 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1a9y h THR 126 Cb 0.56 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1a9y h THR 126 CO 0.00 0.03 0.00 -0.37 -0.01 0.00 0.00 175.52 175.17 1a9y h VAL 127 N 0.00 0.00 0.00 0.00 -1.51 -1.51 0.86 116.25 114.09 1a9y h VAL 127 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1a9y h VAL 127 Cb 0.10 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1a9y h VAL 127 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 1a9y n TYR 128 N -3.07 0.87 -4.55 5.19 4.01 -0.82 -1.51 117.16 117.27 1a9y n TYR 128 Ca -0.03 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1a9y n TYR 128 Cb 0.08 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 1a9y n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a9y n GLY 129 N 0.73 0.21 3.25 2.72 0.00 0.29 -3.19 105.19 109.20 1a9y n GLY 129 Ca 0.04 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1a9y n GLY 129 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a9y n ASP 130 N -1.34 4.92 -4.47 1.61 -0.08 -1.26 -4.93 116.55 110.99 1a9y n ASP 130 Ca 0.00 -2.97 -0.43 0.00 -1.51 0.00 0.00 54.79 49.87 1a9y n ASP 130 Cb 0.00 -1.61 -0.06 0.00 2.34 0.00 0.00 41.12 41.79 1a9y n ASP 130 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1a9y s GLN 131 N 2.25 3.17 0.41 -0.67 2.00 -1.25 -4.97 119.66 120.59 1a9y s GLN 131 Ca 0.46 -0.74 0.16 0.00 -2.00 0.00 0.00 55.36 53.24 1a9y s GLN 131 Cb 0.04 -4.06 0.89 0.00 0.80 0.00 0.00 33.01 30.69 1a9y s GLN 131 CO 0.01 -1.18 1.89 -1.00 -0.50 0.00 0.00 175.29 174.51 1a9y h PRO 132 N 8.98 0.00 -6.28 1.67 0.13 -1.95 -3.42 132.00 131.14 1a9y h PRO 132 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 1a9y h PRO 132 Cb 1.09 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1a9y h PRO 132 CO 0.95 0.29 0.95 0.15 -0.23 0.00 0.00 178.00 180.12 1a9y s LYS 133 N -4.22 4.01 0.01 0.86 1.02 -1.26 -5.00 119.74 115.16 1a9y s LYS 133 Ca -0.03 1.40 0.02 0.00 0.02 0.00 0.00 55.97 57.38 1a9y s LYS 133 Cb 0.14 -3.85 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 1a9y s LYS 133 CO 0.69 -0.99 -0.06 0.96 -0.92 0.00 0.00 175.35 175.03 1a9y s ILE 134 N 4.13 0.45 0.93 2.17 -4.36 -1.26 -4.18 121.20 119.07 1a9y s ILE 134 Ca 0.56 -0.42 -0.11 0.00 -0.26 0.00 0.00 60.65 60.42 1a9y s ILE 134 Cb -0.19 -0.41 0.15 0.00 1.25 0.00 0.00 42.46 43.26 1a9y s ILE 134 CO 0.20 0.01 1.09 -2.16 0.24 0.00 0.00 174.94 174.32 1a9y s PRO 135 N -0.45 0.99 0.04 0.37 0.04 -1.26 -5.04 135.00 129.69 1a9y s PRO 135 Ca -0.01 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 1a9y s PRO 135 Cb -0.04 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1a9y s PRO 135 CO -0.00 -2.46 0.83 0.71 0.04 0.00 0.00 177.00 176.13 1a9y s TYR 136 N -2.84 3.72 0.02 0.56 2.02 -0.75 -4.76 117.35 115.33 1a9y s TYR 136 Ca 0.64 1.55 0.06 0.00 -0.37 0.00 0.00 57.07 58.96 1a9y s TYR 136 Cb -0.19 -2.92 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 1a9y s TYR 136 CO 0.58 0.19 -0.15 0.08 -1.57 0.00 0.00 175.55 174.68 1a9y s VAL 137 N 0.22 2.99 0.57 0.71 1.01 -1.26 -1.55 120.40 123.10 1a9y s VAL 137 Ca 0.42 -1.04 0.27 0.00 0.00 0.00 0.00 61.98 61.64 1a9y s VAL 137 Cb -0.21 -2.26 0.37 0.00 0.00 0.00 0.00 36.38 34.28 1a9y s VAL 137 CO 0.25 0.38 2.04 -0.33 0.00 0.00 0.00 175.10 177.44 1a9y h GLU 138 N 4.65 0.00 -0.00 2.72 3.07 -1.93 -0.60 114.58 122.49 1a9y h GLU 138 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1a9y h GLU 138 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1a9y h GLU 138 CO 0.49 0.00 -0.04 -1.13 -1.40 0.00 0.00 179.01 176.94 1a9y n SER 139 N -3.95 0.10 -4.78 1.42 3.41 -1.26 -4.82 113.62 103.74 1a9y n SER 139 Ca 0.04 -0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 1a9y n SER 139 Cb 0.44 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1a9y n SER 139 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1a9y s PHE 140 N -2.64 2.83 0.55 7.33 0.40 -0.23 -4.97 117.98 121.25 1a9y s PHE 140 Ca 0.26 1.56 -0.18 0.00 -0.60 0.00 0.00 56.93 57.96 1a9y s PHE 140 Cb 0.20 -3.25 -0.06 0.00 0.51 0.00 0.00 43.02 40.43 1a9y s PHE 140 CO 0.48 -1.33 1.06 -1.25 0.70 0.00 0.00 175.22 174.89 1a9y s PRO 141 N -3.10 3.48 0.73 0.24 0.04 -1.26 -4.99 135.00 130.14 1a9y s PRO 141 Ca 0.69 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1a9y s PRO 141 Cb -0.23 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1a9y s PRO 141 CO 0.27 -0.69 1.09 0.95 0.04 0.00 0.00 177.00 178.66 1a9y s THR 142 N -2.18 3.44 0.00 1.26 -4.23 -1.26 -4.90 115.64 107.76 1a9y s THR 142 Ca 0.66 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1a9y s THR 142 Cb -0.17 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1a9y s THR 142 CO 0.29 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1a9y n GLY 143 N -1.16 4.83 3.08 3.99 0.00 -0.57 -4.95 105.19 110.40 1a9y n GLY 143 Ca 0.09 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1a9y n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9y s THR 144 N 1.76 2.77 0.67 2.61 2.01 -1.26 -4.70 115.64 119.51 1a9y s THR 144 Ca 0.00 -2.13 -0.17 0.00 0.31 0.00 0.00 61.69 59.70 1a9y s THR 144 Cb 0.00 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1a9y s THR 144 CO 0.00 -0.59 1.11 -2.65 -0.69 0.00 0.00 174.62 171.80 1a9y n PRO 145 N 4.43 0.80 -0.19 4.92 -0.02 -1.26 -4.65 135.00 139.04 1a9y n PRO 145 Ca -0.01 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 1a9y n PRO 145 Cb 0.42 -2.34 0.27 0.00 -0.02 0.00 0.00 33.50 31.83 1a9y n PRO 145 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1a9y n GLN 146 N -1.79 2.20 -4.23 -0.52 1.13 -1.26 -4.66 117.38 108.25 1a9y n GLN 146 Ca 0.14 -1.83 -0.13 0.00 -1.94 0.00 0.00 57.00 53.24 1a9y n GLN 146 Cb 0.49 -1.45 -0.10 0.00 0.11 0.00 0.00 30.24 29.28 1a9y n GLN 146 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1a9y s SER 147 N -1.35 1.25 0.37 1.08 1.04 -1.26 -5.01 113.70 109.83 1a9y s SER 147 Ca 0.36 -1.14 0.06 0.00 0.48 0.00 0.00 55.95 55.70 1a9y s SER 147 Cb 0.20 0.10 0.73 0.00 0.10 0.00 0.00 66.02 67.16 1a9y s SER 147 CO 0.28 -0.54 1.98 -0.65 0.98 0.00 0.00 173.24 175.28 1a9y h PRO 148 N 2.73 0.55 0.36 4.02 0.11 -1.87 0.11 132.00 138.01 1a9y h PRO 148 Ca -0.37 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1a9y h PRO 148 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1a9y h PRO 148 CO 0.63 0.46 -0.17 0.35 -0.21 0.00 0.00 178.00 179.05 1a9y h PHE 149 N 0.55 -0.45 -0.58 0.65 3.57 -1.85 0.21 116.94 119.04 1a9y h PHE 149 Ca 0.14 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1a9y h PHE 149 Cb 0.11 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1a9y h PHE 149 CO 0.00 -0.23 0.09 0.78 -2.23 0.00 0.00 178.31 176.73 1a9y h GLY 150 N -0.58 1.01 1.45 2.40 0.00 -1.80 -1.57 103.07 103.98 1a9y h GLY 150 Ca -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 1a9y h GLY 150 CO 0.08 0.59 0.13 0.50 0.00 0.00 0.00 176.54 177.84 1a9y h LYS 151 N 0.88 0.69 -0.61 4.80 1.57 -0.64 -1.97 116.57 121.29 1a9y h LYS 151 Ca 0.18 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1a9y h LYS 151 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1a9y h LYS 151 CO 0.01 0.62 0.19 0.66 -0.57 0.00 0.00 179.45 180.36 1a9y h SER 152 N 0.68 0.86 -0.38 0.86 4.64 0.41 -0.12 113.55 120.49 1a9y h SER 152 Ca 0.16 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1a9y h SER 152 Cb 0.23 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1a9y h SER 152 CO -0.01 0.81 -0.12 0.11 -0.87 0.00 0.00 176.83 176.76 1a9y h LYS 153 N 0.90 0.75 -0.59 4.77 1.79 -0.90 -1.93 116.57 121.35 1a9y h LYS 153 Ca 0.20 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 1a9y h LYS 153 Cb 0.26 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1a9y h LYS 153 CO -0.01 0.90 0.19 1.25 -1.08 0.00 0.00 179.45 180.70 1a9y h LEU 154 N 0.55 0.86 -0.62 2.94 5.85 -1.05 -0.87 115.31 122.97 1a9y h LEU 154 Ca 0.09 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1a9y h LEU 154 Cb 0.64 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1a9y h LEU 154 CO 0.04 0.84 0.39 0.24 -0.34 0.00 0.00 178.44 179.61 1a9y h MET 155 N 0.84 0.76 -0.64 1.25 2.86 -0.93 -0.27 114.93 118.81 1a9y h MET 155 Ca 0.19 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1a9y h MET 155 Cb 0.28 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1a9y h MET 155 CO -0.01 0.50 0.23 0.28 1.06 0.00 0.00 176.91 178.98 1a9y h VAL 156 N 0.78 1.24 -0.77 -2.22 2.07 -0.98 0.30 116.25 116.67 1a9y h VAL 156 Ca 0.24 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1a9y h VAL 156 Cb -0.02 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1a9y h VAL 156 CO -0.08 0.31 0.49 -0.33 0.02 0.00 0.00 177.57 177.97 1a9y h GLU 157 N 0.91 0.92 -0.51 1.57 5.08 -0.41 0.02 114.58 122.16 1a9y h GLU 157 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1a9y h GLU 157 Cb 0.25 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1a9y h GLU 157 CO -0.01 0.61 0.29 1.96 -1.00 0.00 0.00 179.01 180.86 1a9y h GLN 158 N 0.95 0.70 -0.52 2.33 4.20 -0.23 -0.37 115.11 122.16 1a9y h GLN 158 Ca 0.31 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1a9y h GLN 158 Cb 0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1a9y h GLN 158 CO -0.12 0.53 0.20 0.82 -0.67 0.00 0.00 178.83 179.59 1a9y h ILE 159 N 0.67 1.22 -0.77 2.54 2.04 -0.39 -0.97 117.51 121.86 1a9y h ILE 159 Ca 0.18 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1a9y h ILE 159 Cb 0.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1a9y h ILE 159 CO -0.03 0.26 0.35 -0.07 0.00 0.00 0.00 178.15 178.67 1a9y h LEU 160 N 0.71 1.02 -0.61 1.44 3.38 -0.86 0.26 115.31 120.65 1a9y h LEU 160 Ca 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a9y h LEU 160 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1a9y h LEU 160 CO -0.01 0.88 0.29 0.74 0.09 0.00 0.00 178.44 180.43 1a9y h THR 161 N 1.09 1.21 -0.07 0.22 2.02 -0.64 -0.71 112.91 116.03 1a9y h THR 161 Ca 0.26 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1a9y h THR 161 Cb 0.14 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1a9y h THR 161 CO -0.03 0.24 -0.40 0.44 0.37 0.00 0.00 175.52 176.14 1a9y h ASP 162 N 0.83 0.14 -0.43 4.18 3.32 -0.69 -2.11 116.42 121.67 1a9y h ASP 162 Ca 0.21 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1a9y h ASP 162 Cb 0.12 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1a9y h ASP 162 CO -0.03 0.54 0.09 0.25 -1.72 0.00 0.00 179.24 178.37 1a9y h LEU 163 N 0.12 0.67 -0.96 1.55 5.85 0.05 -2.17 115.31 120.43 1a9y h LEU 163 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1a9y h LEU 163 Cb 0.77 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1a9y h LEU 163 CO 0.06 0.75 0.60 -0.61 -0.34 0.00 0.00 178.44 178.90 1a9y h GLN 164 N 0.57 1.28 -0.45 1.25 -0.00 -0.77 0.19 115.11 117.18 1a9y h GLN 164 Ca 0.13 -0.10 0.06 0.00 -0.00 0.00 0.00 58.65 58.74 1a9y h GLN 164 Cb 0.35 -0.28 -0.05 0.00 0.00 0.00 0.00 27.48 27.50 1a9y h GLN 164 CO 0.00 0.88 0.15 -0.22 0.00 0.00 0.00 178.83 179.64 1a9y h LYS 165 N 1.31 0.31 0.00 1.69 3.64 -1.17 -1.01 116.57 121.34 1a9y h LYS 165 Ca 0.35 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1a9y h LYS 165 Cb -0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1a9y h LYS 165 CO -0.07 0.20 -0.33 0.00 -2.27 0.00 0.00 179.45 176.98 1a9y h ALA 166 N 1.30 0.89 -2.23 5.00 0.00 -0.69 -3.35 119.26 120.17 1a9y h ALA 166 Ca 0.21 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 1a9y h ALA 166 Cb 0.22 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.56 1a9y h ALA 166 CO -0.23 0.41 -0.94 1.04 0.00 0.00 0.00 179.25 179.53 1a9y n GLN 167 N -3.32 0.93 0.00 0.00 1.13 0.58 -4.99 117.38 111.71 1a9y n GLN 167 Ca 0.01 -3.54 0.00 0.00 -1.94 0.00 0.00 57.00 51.53 1a9y n GLN 167 Cb 0.56 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1a9y n GLN 167 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1a9y n PRO 168 N 1.79 0.00 0.00 -1.09 -0.04 -0.44 -1.34 135.00 133.88 1a9y n PRO 168 Ca 0.25 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1a9y n PRO 168 Cb 0.48 -1.60 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 1a9y n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a9y n ASP 169 N -1.31 0.55 -4.77 3.54 5.75 -1.26 -4.48 116.55 114.56 1a9y n ASP 169 Ca 0.00 -0.33 -0.40 0.00 -0.01 0.00 0.00 54.79 54.04 1a9y n ASP 169 Cb 0.10 0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1a9y n ASP 169 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1a9y s TRP 170 N -2.84 3.02 -0.25 2.11 0.52 -0.45 -4.52 118.94 116.53 1a9y s TRP 170 Ca 0.16 1.42 -0.04 0.00 0.02 0.00 0.00 56.10 57.66 1a9y s TRP 170 Cb 0.18 -3.67 0.01 0.00 -1.15 0.00 0.00 33.47 28.84 1a9y s TRP 170 CO 0.62 -1.87 -0.01 0.45 0.02 0.00 0.00 176.95 176.16 1a9y s SER 171 N -0.53 4.55 -0.12 2.95 0.15 0.60 -1.45 113.70 119.84 1a9y s SER 171 Ca 0.50 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 1a9y s SER 171 Cb -0.39 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 1a9y s SER 171 CO 0.52 -0.12 -0.09 -0.63 1.20 0.00 0.00 173.24 174.13 1a9y s ILE 172 N 1.42 1.12 -0.21 6.45 1.01 0.39 0.26 121.20 131.65 1a9y s ILE 172 Ca 0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1a9y s ILE 172 Cb -0.16 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1a9y s ILE 172 CO -0.02 0.37 0.09 0.00 0.00 0.00 0.00 174.94 175.39 1a9y s ALA 173 N 1.67 3.45 -0.47 9.38 0.00 0.40 0.20 121.76 136.39 1a9y s ALA 173 Ca 0.05 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1a9y s ALA 173 Cb -0.13 -2.06 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1a9y s ALA 173 CO -0.09 0.01 0.35 -0.51 0.00 0.00 0.00 175.76 175.52 1a9y s LEU 174 N 0.68 5.59 -0.51 0.00 1.43 0.85 -0.97 118.68 125.76 1a9y s LEU 174 Ca 0.05 -1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 51.28 1a9y s LEU 174 Cb -0.13 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.10 1a9y s LEU 174 CO 0.02 -0.66 0.60 -0.76 0.23 0.00 0.00 176.35 175.77 1a9y s LEU 175 N 1.46 5.10 -0.54 1.79 1.43 -0.90 -1.38 118.68 125.64 1a9y s LEU 175 Ca 0.04 -1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 1a9y s LEU 175 Cb -0.26 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.61 1a9y s LEU 175 CO 0.02 -0.87 0.91 -0.13 0.23 0.00 0.00 176.35 176.51 1a9y s ARG 176 N 2.49 3.32 0.49 1.70 0.52 -0.49 0.33 118.95 127.31 1a9y s ARG 176 Ca 0.13 -0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.87 1a9y s ARG 176 Cb -0.20 -4.05 -0.09 0.00 0.52 0.00 0.00 34.95 31.13 1a9y s ARG 176 CO 0.11 -1.44 0.98 0.71 0.02 0.00 0.00 175.30 175.67 1a9y s TYR 177 N 3.81 3.40 0.00 -0.53 2.02 -0.94 -0.48 117.35 124.63 1a9y s TYR 177 Ca 0.29 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 1a9y s TYR 177 Cb -0.13 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.62 1a9y s TYR 177 CO 0.19 -0.30 0.00 1.19 -1.57 0.00 0.00 175.55 175.06 1a9y n PHE 178 N -1.28 0.00 -3.78 2.71 3.01 -1.06 -0.43 117.46 116.63 1a9y n PHE 178 Ca 0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.18 1a9y n PHE 178 Cb 0.54 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.90 1a9y n PHE 178 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1a9y s ASN 179 N -1.00 5.00 0.15 4.37 -0.87 -0.25 -4.78 114.94 117.56 1a9y s ASN 179 Ca 0.00 -3.00 -0.31 0.00 -1.57 0.00 0.00 52.86 47.98 1a9y s ASN 179 Cb 0.00 -1.79 -0.08 0.00 -0.02 0.00 0.00 41.25 39.36 1a9y s ASN 179 CO 0.00 -0.31 1.31 -2.84 -2.57 0.00 0.00 177.10 172.70 1a9y s PRO 180 N -0.28 4.38 0.34 -0.60 0.02 -1.26 -0.68 135.00 136.93 1a9y s PRO 180 Ca 0.18 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.20 1a9y s PRO 180 Cb -0.20 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1a9y s PRO 180 CO -0.03 -0.31 0.45 1.33 -0.33 0.00 0.00 177.00 178.11 1a9y n VAL 181 N 3.29 0.00 -0.15 3.83 0.24 0.34 -4.89 118.33 121.00 1a9y n VAL 181 Ca 0.08 -1.85 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 1a9y n VAL 181 Cb 0.43 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1a9y n VAL 181 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9y n GLY 182 N -0.58 -3.49 3.66 7.63 0.00 -1.26 0.85 105.19 112.00 1a9y n GLY 182 Ca 0.02 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1a9y n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9y s ALA 183 N -1.22 -1.54 0.31 4.61 0.00 -1.26 -4.45 121.76 118.21 1a9y s ALA 183 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 1a9y s ALA 183 Cb 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 23.12 23.73 1a9y s ALA 183 CO 0.00 -0.91 1.45 1.58 0.00 0.00 0.00 175.76 177.88 1a9y n HIS 184 N -0.40 2.55 -0.08 0.00 -0.00 -1.17 -4.81 115.22 111.32 1a9y n HIS 184 Ca -0.09 0.42 0.25 0.00 0.46 0.00 0.00 57.72 58.76 1a9y n HIS 184 Cb 0.61 -2.50 0.72 0.00 -0.12 0.00 0.00 29.99 28.70 1a9y n HIS 184 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a9y h PRO 185 N 3.69 0.00 0.00 1.57 0.10 -1.92 0.25 132.00 135.69 1a9y h PRO 185 Ca -0.47 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.61 1a9y h PRO 185 Cb 1.26 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.35 1a9y h PRO 185 CO 0.71 0.00 -0.08 0.66 0.10 0.00 0.00 178.00 179.39 1a9y h SER 186 N 0.00 0.00 -0.16 -2.05 4.64 -1.93 -3.46 113.55 110.60 1a9y h SER 186 Ca 0.33 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 1a9y h SER 186 Cb 1.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 1a9y h SER 186 CO -0.00 0.08 -0.06 0.61 -0.87 0.00 0.00 176.83 176.59 1a9y n GLY 187 N -0.59 0.62 0.04 -0.77 0.00 0.88 -4.87 105.19 100.50 1a9y n GLY 187 Ca -0.01 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1a9y n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a9y n ASP 188 N 0.40 0.99 -4.04 1.61 8.00 -1.26 -4.21 116.55 118.03 1a9y n ASP 188 Ca -0.03 -0.99 -0.11 0.00 0.71 0.00 0.00 54.79 54.36 1a9y n ASP 188 Cb 0.18 0.95 -0.11 0.00 -0.02 0.00 0.00 41.12 42.12 1a9y n ASP 188 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a9y s MET 189 N -2.73 0.47 0.00 -1.24 -1.94 -1.26 -5.03 119.30 107.57 1a9y s MET 189 Ca 0.08 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1a9y s MET 189 Cb 0.14 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.90 1a9y s MET 189 CO 0.75 -0.01 0.00 0.41 -0.01 0.00 0.00 175.02 176.16 1a9y n GLY 190 N 1.29 -1.27 3.71 -0.03 0.00 -1.26 -3.02 105.19 104.61 1a9y n GLY 190 Ca -0.22 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1a9y n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9y s GLU 191 N -0.83 4.46 -0.60 1.61 2.12 -1.26 -4.84 118.70 119.37 1a9y s GLU 191 Ca 0.00 1.69 0.06 0.00 0.36 0.00 0.00 54.97 57.08 1a9y s GLU 191 Cb 0.00 -3.37 0.24 0.00 0.26 0.00 0.00 34.13 31.26 1a9y s GLU 191 CO 0.00 -0.20 0.67 -3.47 -0.54 0.00 0.00 175.26 171.71 1a9y n ASP 192 N 3.89 2.93 -4.77 -1.70 2.03 -1.26 -5.03 116.55 112.64 1a9y n ASP 192 Ca 0.08 -3.26 -0.40 0.00 0.52 0.00 0.00 54.79 51.74 1a9y n ASP 192 Cb 0.47 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1a9y n ASP 192 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1a9y s PRO 193 N -2.06 4.20 -0.16 -0.67 0.04 -1.26 -4.99 135.00 130.09 1a9y s PRO 193 Ca 0.37 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1a9y s PRO 193 Cb 0.13 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 1a9y s PRO 193 CO -0.05 -0.25 0.22 -0.65 0.04 0.00 0.00 177.00 176.31 1a9y s GLN 194 N -2.02 4.14 2.39 4.56 -1.52 -1.26 -4.93 119.66 121.02 1a9y s GLN 194 Ca 0.53 -0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.91 1a9y s GLN 194 Cb -0.35 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.04 1a9y s GLN 194 CO 0.46 0.33 0.00 0.41 -0.25 0.00 0.00 175.29 176.24 1a9y n GLY 195 N 3.24 -0.87 3.70 3.09 0.00 -1.26 -4.78 105.19 108.30 1a9y n GLY 195 Ca -0.14 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1a9y n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9y s ILE 196 N 0.00 4.33 0.30 -0.61 1.01 -1.26 -4.99 121.20 119.98 1a9y s ILE 196 Ca 0.00 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 1a9y s ILE 196 Cb 0.00 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 1a9y s ILE 196 CO 0.00 0.06 1.23 -2.84 0.00 0.00 0.00 174.94 173.38 1a9y s PRO 197 N 1.69 4.47 0.07 2.79 0.02 -1.26 -4.93 135.00 137.85 1a9y s PRO 197 Ca 0.55 2.04 0.18 0.00 0.02 0.00 0.00 61.00 63.79 1a9y s PRO 197 Cb -0.25 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.02 1a9y s PRO 197 CO 0.25 -0.04 0.83 0.09 -0.33 0.00 0.00 177.00 177.79 1a9y n ASN 198 N 1.16 0.83 -4.88 2.53 5.03 -1.26 -4.76 115.26 113.89 1a9y n ASN 198 Ca 0.00 0.36 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 1a9y n ASN 198 Cb 0.43 0.25 -0.04 0.00 -1.02 0.00 0.00 39.78 39.40 1a9y n ASN 198 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1a9y s ASN 199 N -5.69 6.55 0.09 6.41 -0.87 -1.26 -5.03 114.94 115.14 1a9y s ASN 199 Ca -0.03 0.91 -0.33 0.00 -1.57 0.00 0.00 52.86 51.84 1a9y s ASN 199 Cb 0.09 -2.22 -0.15 0.00 -0.02 0.00 0.00 41.25 38.95 1a9y s ASN 199 CO 0.81 -0.19 1.53 0.25 -2.57 0.00 0.00 177.10 176.93 1a9y h LEU 200 N 1.95 -1.46 0.04 0.60 5.85 -2.00 -2.62 115.31 117.68 1a9y h LEU 200 Ca -0.47 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1a9y h LEU 200 Cb 1.18 0.52 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 1a9y h LEU 200 CO 0.67 -0.57 -0.35 -0.03 -0.34 0.00 0.00 178.44 177.82 1a9y h MET 201 N -0.80 -0.51 -0.90 1.25 4.05 -1.96 -0.60 114.93 115.45 1a9y h MET 201 Ca -0.02 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1a9y h MET 201 Cb 0.76 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.61 1a9y h MET 201 CO -0.20 -0.34 0.58 -1.00 0.23 0.00 0.00 176.91 176.18 1a9y h PRO 202 N -0.53 0.88 -0.27 0.39 0.13 -1.97 0.17 132.00 130.80 1a9y h PRO 202 Ca 0.05 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1a9y h PRO 202 Cb 0.60 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1a9y h PRO 202 CO -0.26 0.58 0.17 -0.92 -0.23 0.00 0.00 178.00 177.35 1a9y h TYR 203 N 0.91 0.35 -0.17 1.56 5.03 -1.01 -0.50 116.97 123.13 1a9y h TYR 203 Ca 0.42 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.75 1a9y h TYR 203 Cb 0.39 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1a9y h TYR 203 CO -0.00 0.24 0.02 0.82 -1.32 0.00 0.00 178.16 177.92 1a9y h ILE 204 N 0.35 0.91 -0.93 1.81 2.04 0.23 -1.28 117.51 120.65 1a9y h ILE 204 Ca 0.10 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1a9y h ILE 204 Cb -0.01 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1a9y h ILE 204 CO -0.02 0.02 0.59 0.00 0.00 0.00 0.00 178.15 178.74 1a9y h ALA 205 N 1.13 1.61 -0.01 1.87 0.00 -0.24 0.14 119.26 123.76 1a9y h ALA 205 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1a9y h ALA 205 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a9y h ALA 205 CO -0.11 0.19 -0.57 1.96 0.00 0.00 0.00 179.25 180.71 1a9y h GLN 206 N 0.91 0.03 -0.18 0.00 4.20 -0.40 0.91 115.11 120.59 1a9y h GLN 206 Ca 0.44 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.98 1a9y h GLN 206 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1a9y h GLN 206 CO -0.20 0.59 -0.46 0.28 -0.67 0.00 0.00 178.83 178.37 1a9y h VAL 207 N 0.02 1.33 -0.71 -0.54 2.07 -0.05 0.68 116.25 119.05 1a9y h VAL 207 Ca -0.01 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 1a9y h VAL 207 Cb 1.01 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1a9y h VAL 207 CO 0.08 0.53 0.43 0.00 0.02 0.00 0.00 177.57 178.63 1a9y h ALA 208 N 0.57 0.90 0.00 1.67 0.00 -0.55 -1.75 119.26 120.10 1a9y h ALA 208 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a9y h ALA 208 Cb 1.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a9y h ALA 208 CO 0.10 0.37 0.00 1.55 0.00 0.00 0.00 179.25 181.27 1a9y n VAL 209 N -4.54 0.50 -0.31 0.00 3.14 0.29 -4.87 118.33 112.55 1a9y n VAL 209 Ca 0.06 0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1a9y n VAL 209 Cb 0.05 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.02 1a9y n VAL 209 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a9y n GLY 210 N 0.33 0.67 0.13 7.55 0.00 -0.66 -4.94 105.19 108.27 1a9y n GLY 210 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1a9y n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a9y h ARG 211 N 4.28 0.12 -6.35 1.61 2.43 -1.10 -3.45 114.38 111.92 1a9y h ARG 211 Ca 0.00 -0.12 -0.59 0.00 -0.81 0.00 0.00 59.98 58.46 1a9y h ARG 211 Cb 0.00 0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 29.37 1a9y h ARG 211 CO 0.00 0.84 -0.83 1.03 -1.51 0.00 0.00 179.97 179.50 1a9y s ARG 212 N -3.33 1.26 -0.00 0.20 0.52 -0.62 -4.96 118.95 112.03 1a9y s ARG 212 Ca -0.02 -1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 53.77 1a9y s ARG 212 Cb 0.11 -1.55 -0.07 0.00 0.52 0.00 0.00 34.95 33.96 1a9y s ARG 212 CO 0.80 0.35 0.79 0.22 0.02 0.00 0.00 175.30 177.49 1a9y h ASP 213 N 3.77 -0.38 -4.98 0.23 3.58 -1.89 -3.39 116.42 113.37 1a9y h ASP 213 Ca -0.47 0.01 -0.18 0.00 0.42 0.00 0.00 57.03 56.82 1a9y h ASP 213 Cb 1.19 0.10 -0.19 0.00 1.72 0.00 0.00 39.33 42.15 1a9y h ASP 213 CO 0.43 -0.17 -0.70 -0.55 -2.88 0.00 0.00 179.24 175.37 1a9y s SER 214 N -3.58 0.50 -0.05 2.28 0.15 -1.26 -4.68 113.70 107.06 1a9y s SER 214 Ca -0.07 -0.69 -0.22 0.00 0.70 0.00 0.00 55.95 55.67 1a9y s SER 214 Cb 0.01 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1a9y s SER 214 CO 0.20 -0.38 0.66 -0.22 1.20 0.00 0.00 173.24 174.70 1a9y s LEU 215 N -2.03 4.35 -0.27 3.45 2.96 -0.44 -4.87 118.68 121.82 1a9y s LEU 215 Ca -0.06 1.17 -0.19 0.00 -0.22 0.00 0.00 54.13 54.83 1a9y s LEU 215 Cb -0.04 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 1a9y s LEU 215 CO -0.04 -0.04 0.57 0.00 -1.32 0.00 0.00 176.35 175.53 1a9y s ALA 216 N 0.47 3.58 -0.35 5.97 0.00 -1.26 0.08 121.76 130.24 1a9y s ALA 216 Ca 0.35 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1a9y s ALA 216 Cb -0.18 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1a9y s ALA 216 CO 0.18 -0.86 0.55 0.42 0.00 0.00 0.00 175.76 176.04 1a9y s ILE 217 N 2.44 4.98 -1.04 0.00 1.01 0.10 -4.85 121.20 123.83 1a9y s ILE 217 Ca 0.23 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 61.09 1a9y s ILE 217 Cb -0.15 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1a9y s ILE 217 CO 0.10 -0.24 1.60 -0.36 0.00 0.00 0.00 174.94 176.04 1a9y s PHE 218 N 2.49 2.41 0.00 3.97 0.08 -1.26 0.44 117.98 126.10 1a9y s PHE 218 Ca 0.20 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1a9y s PHE 218 Cb -0.15 -4.56 0.00 0.00 -0.57 0.00 0.00 43.02 37.74 1a9y s PHE 218 CO 0.14 -1.86 0.00 0.41 -0.10 0.00 0.00 175.22 173.81 1a9y n GLY 219 N 6.65 1.33 0.11 4.36 0.00 -0.38 -4.25 105.19 113.01 1a9y n GLY 219 Ca 0.37 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 44.97 1a9y n GLY 219 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a9y n ASN 220 N -0.09 0.79 -0.29 1.61 6.94 -1.25 -4.46 115.26 118.52 1a9y n ASN 220 Ca 0.00 -1.71 0.08 0.00 -0.02 0.00 0.00 54.58 52.94 1a9y n ASN 220 Cb 0.00 -0.09 0.17 0.00 -2.36 0.00 0.00 39.78 37.49 1a9y n ASN 220 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1a9y n ASP 221 N -0.30 2.07 -4.86 0.53 5.75 -1.06 -4.60 116.55 114.08 1a9y n ASP 221 Ca 0.02 -3.40 -0.30 0.00 -0.01 0.00 0.00 54.79 51.10 1a9y n ASP 221 Cb 0.49 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1a9y n ASP 221 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1a9y s TYR 222 N -2.99 3.07 -1.43 2.11 2.02 -0.20 -4.92 117.35 115.00 1a9y s TYR 222 Ca 0.34 1.01 -0.08 0.00 -0.37 0.00 0.00 57.07 57.98 1a9y s TYR 222 Cb 0.31 -3.18 0.05 0.00 -0.40 0.00 0.00 41.96 38.74 1a9y s TYR 222 CO -0.01 -1.53 2.53 -0.35 -1.57 0.00 0.00 175.55 174.63 1a9y n PRO 223 N -3.23 4.12 -4.56 -1.71 -0.04 -1.26 -4.23 135.00 124.09 1a9y n PRO 223 Ca 0.07 -2.99 -0.26 0.00 -0.04 0.00 0.00 63.50 60.28 1a9y n PRO 223 Cb 0.58 -2.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1a9y n PRO 223 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a9y s THR 224 N 0.33 1.50 0.15 0.52 -4.23 -1.26 -4.99 115.64 107.65 1a9y s THR 224 Ca 0.58 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.90 1a9y s THR 224 Cb 0.17 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1a9y s THR 224 CO -0.07 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 175.61 1a9y h GLU 225 N 1.86 0.00 -0.31 3.99 4.81 -1.89 -2.67 114.58 120.38 1a9y h GLU 225 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1a9y h GLU 225 Cb 1.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1a9y h GLU 225 CO 0.74 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 1a9y n ASP 226 N -5.25 3.39 0.00 1.04 5.68 -1.26 -4.96 116.55 115.19 1a9y n ASP 226 Ca -0.00 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1a9y n ASP 226 Cb 0.17 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1a9y n ASP 226 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9y n GLY 227 N 1.48 2.21 3.97 6.12 0.00 -1.01 -4.95 105.19 113.01 1a9y n GLY 227 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1a9y n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9y s THR 228 N -2.49 4.56 0.53 2.61 -4.23 -1.26 -1.04 115.64 114.33 1a9y s THR 228 Ca 0.00 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1a9y s THR 228 Cb 0.00 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1a9y s THR 228 CO 0.00 -0.32 1.30 -0.83 -0.54 0.00 0.00 174.62 174.22 1a9y s GLY 229 N -4.11 2.85 -0.06 3.99 0.00 -1.26 -4.62 107.32 104.11 1a9y s GLY 229 Ca 0.42 1.21 0.06 0.00 0.00 0.00 0.00 44.72 46.40 1a9y s GLY 229 CO 0.33 1.70 -0.25 0.14 0.00 0.00 0.00 173.10 175.02 1a9y s VAL 230 N -1.39 2.02 0.22 1.40 1.01 -0.28 -0.98 120.40 122.40 1a9y s VAL 230 Ca 0.70 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1a9y s VAL 230 Cb -0.37 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1a9y s VAL 230 CO 0.43 0.56 0.23 -0.13 0.00 0.00 0.00 175.10 176.19 1a9y s ARG 231 N -0.11 1.32 -0.59 2.72 1.81 -0.68 -2.09 118.95 121.33 1a9y s ARG 231 Ca -0.05 -1.56 -0.11 0.00 -1.72 0.00 0.00 55.73 52.29 1a9y s ARG 231 Cb -0.14 0.32 0.15 0.00 -0.45 0.00 0.00 34.95 34.84 1a9y s ARG 231 CO 0.04 -0.47 0.50 0.34 -0.68 0.00 0.00 175.30 175.03 1a9y s ASP 232 N -3.14 6.03 0.02 0.23 -1.08 -1.20 -0.82 116.67 116.71 1a9y s ASP 232 Ca 0.35 -2.18 -0.25 0.00 -0.52 0.00 0.00 52.55 49.94 1a9y s ASP 232 Cb 0.05 -2.09 -0.05 0.00 -1.46 0.00 0.00 42.92 39.37 1a9y s ASP 232 CO 0.12 -0.67 0.78 -0.31 0.52 0.00 0.00 175.17 175.62 1a9y s TYR 233 N 0.96 3.70 -0.03 -5.34 2.02 -1.26 -1.09 117.35 116.31 1a9y s TYR 233 Ca 0.09 1.47 0.03 0.00 -0.37 0.00 0.00 57.07 58.29 1a9y s TYR 233 Cb -0.23 -2.86 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 1a9y s TYR 233 CO -0.02 0.20 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.54 1a9y s ILE 234 N 0.25 1.00 0.20 2.71 2.07 0.15 -4.36 121.20 123.21 1a9y s ILE 234 Ca 0.40 -0.47 -0.30 0.00 -1.41 0.00 0.00 60.65 58.87 1a9y s ILE 234 Cb -0.20 -0.88 -0.09 0.00 0.13 0.00 0.00 42.46 41.42 1a9y s ILE 234 CO 0.23 0.30 1.38 -2.28 -1.91 0.00 0.00 174.94 172.66 1a9y s HIS 235 N 0.19 3.17 0.48 3.50 5.65 -1.26 -0.50 115.29 126.52 1a9y s HIS 235 Ca -0.04 1.07 0.22 0.00 0.25 0.00 0.00 55.06 56.56 1a9y s HIS 235 Cb -0.10 -3.70 1.25 0.00 -1.18 0.00 0.00 32.58 28.85 1a9y s HIS 235 CO 0.01 -2.31 1.92 -0.24 -0.65 0.00 0.00 174.74 173.47 1a9y h VAL 236 N 3.79 0.69 -0.24 0.89 3.04 0.17 -0.19 116.25 124.41 1a9y h VAL 236 Ca -0.44 -0.07 -0.14 0.00 -1.01 0.00 0.00 66.70 65.03 1a9y h VAL 236 Cb 1.21 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1a9y h VAL 236 CO 0.80 0.04 -0.44 0.24 -1.01 0.00 0.00 177.57 177.20 1a9y h MET 237 N 0.21 0.59 -0.35 4.17 2.86 -1.88 0.10 114.93 120.63 1a9y h MET 237 Ca 0.38 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1a9y h MET 237 Cb 1.17 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1a9y h MET 237 CO -0.08 0.91 -0.29 -0.44 1.06 0.00 0.00 176.91 178.08 1a9y h ASP 238 N 0.48 0.75 -0.29 1.22 3.32 -1.46 -0.23 116.42 120.20 1a9y h ASP 238 Ca 0.03 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1a9y h ASP 238 Cb 0.96 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1a9y h ASP 238 CO 0.09 0.99 0.12 0.25 -1.72 0.00 0.00 179.24 178.96 1a9y h LEU 239 N 0.62 0.41 -0.02 1.55 5.85 -0.83 0.28 115.31 123.17 1a9y h LEU 239 Ca 0.08 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1a9y h LEU 239 Cb 0.80 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1a9y h LEU 239 CO 0.07 0.46 -0.34 0.00 -0.34 0.00 0.00 178.44 178.29 1a9y h ALA 240 N 0.96 -0.49 -0.83 1.25 0.00 -0.60 -0.19 119.26 119.36 1a9y h ALA 240 Ca 0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1a9y h ALA 240 Cb 0.19 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1a9y h ALA 240 CO -0.01 -0.85 0.47 -0.44 0.00 0.00 0.00 179.25 178.42 1a9y h ASP 241 N -0.48 0.66 -0.03 0.00 5.19 -0.90 -1.39 116.42 119.47 1a9y h ASP 241 Ca 0.06 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1a9y h ASP 241 Cb 0.57 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1a9y h ASP 241 CO -0.29 0.36 -0.07 1.23 -3.12 0.00 0.00 179.24 177.35 1a9y h GLY 242 N 0.77 0.26 1.63 2.75 0.00 0.39 -1.82 103.07 107.04 1a9y h GLY 242 Ca 0.41 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.44 1a9y h GLY 242 CO -0.26 0.13 -0.62 0.45 0.00 0.00 0.00 176.54 176.24 1a9y h HIS 243 N 0.23 0.49 -0.11 5.60 3.86 0.00 -0.67 115.15 124.55 1a9y h HIS 243 Ca 0.05 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1a9y h HIS 243 Cb 0.28 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1a9y h HIS 243 CO 0.00 0.90 0.04 0.28 0.86 0.00 0.00 177.93 180.02 1a9y h VAL 244 N 0.28 1.15 0.02 2.45 2.07 -0.87 0.09 116.25 121.44 1a9y h VAL 244 Ca -0.01 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1a9y h VAL 244 Cb 1.16 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1a9y h VAL 244 CO 0.11 0.14 -0.01 0.58 0.02 0.00 0.00 177.57 178.40 1a9y h VAL 245 N 0.01 1.10 -0.33 2.57 2.07 -1.30 -0.31 116.25 120.05 1a9y h VAL 245 Ca 0.04 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1a9y h VAL 245 Cb 0.18 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1a9y h VAL 245 CO -0.00 0.09 -0.25 0.00 0.02 0.00 0.00 177.57 177.43 1a9y h ALA 246 N 0.80 -0.06 -0.44 1.67 0.00 -1.04 0.28 119.26 120.45 1a9y h ALA 246 Ca -0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1a9y h ALA 246 Cb 0.17 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1a9y h ALA 246 CO 0.00 -0.64 0.18 1.98 0.00 0.00 0.00 179.25 180.77 1a9y h MET 247 N -0.21 0.36 -0.30 0.00 -1.53 -0.82 0.62 114.93 113.05 1a9y h MET 247 Ca 0.17 -0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.33 1a9y h MET 247 Cb 0.47 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 1a9y h MET 247 CO -0.45 0.24 -0.08 0.93 0.14 0.00 0.00 176.91 177.69 1a9y h GLU 248 N 0.37 0.59 0.02 0.39 5.08 0.16 -2.96 114.58 118.23 1a9y h GLU 248 Ca 0.20 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 1a9y h GLU 248 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1a9y h GLU 248 CO -0.18 0.78 -0.92 0.87 -1.00 0.00 0.00 179.01 178.56 1a9y h LYS 249 N 0.36 0.12 0.00 2.33 1.57 -0.37 -3.33 116.57 117.24 1a9y h LYS 249 Ca 0.08 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a9y h LYS 249 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1a9y h LYS 249 CO 0.03 0.95 -0.68 1.28 -0.57 0.00 0.00 179.45 180.47 1a9y n LEU 250 N -3.57 0.61 -4.65 2.94 4.77 0.20 -4.82 117.00 112.48 1a9y n LEU 250 Ca -0.03 0.07 -0.47 0.00 -0.03 0.00 0.00 56.01 55.56 1a9y n LEU 250 Cb 0.85 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1a9y n LEU 250 CO 0.47 0.04 1.08 0.00 -1.33 0.00 0.00 177.39 177.66 1a9y n ALA 251 N -1.70 0.74 -0.88 -1.18 0.00 -1.12 -1.15 120.51 115.21 1a9y n ALA 251 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1a9y n ALA 251 Cb 0.40 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1a9y n ALA 251 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a9y n ASN 252 N 2.98 -2.06 -4.35 0.00 3.02 -1.26 -4.94 115.26 108.65 1a9y n ASN 252 Ca 0.16 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.26 1a9y n ASN 252 Cb 0.27 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.95 1a9y n ASN 252 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a9y s LYS 253 N -0.66 3.35 0.49 3.52 1.02 -0.30 -5.00 119.74 122.15 1a9y s LYS 253 Ca 0.00 -1.94 -0.22 0.00 0.02 0.00 0.00 55.97 53.83 1a9y s LYS 253 Cb 0.00 -4.44 -0.08 0.00 -0.52 0.00 0.00 37.83 32.79 1a9y s LYS 253 CO 0.00 -1.43 1.08 -2.30 -0.92 0.00 0.00 175.35 171.78 1a9y n PRO 254 N 5.17 1.37 0.00 -1.68 -0.02 -1.26 -4.40 135.00 134.19 1a9y n PRO 254 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1a9y n PRO 254 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1a9y n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a9y n GLY 255 N 1.09 0.97 3.14 -1.23 0.00 -0.53 -4.93 105.19 103.71 1a9y n GLY 255 Ca 0.10 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1a9y n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9y s VAL 256 N -1.00 3.55 -0.40 1.61 1.01 -1.26 -0.46 120.40 123.45 1a9y s VAL 256 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1a9y s VAL 256 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1a9y s VAL 256 CO 0.00 -0.72 0.38 -1.00 0.00 0.00 0.00 175.10 173.76 1a9y s HIS 257 N 1.18 3.20 -0.21 5.22 0.09 0.13 -4.95 115.29 119.94 1a9y s HIS 257 Ca 0.08 -0.38 -0.08 0.00 -0.00 0.00 0.00 55.06 54.68 1a9y s HIS 257 Cb -0.24 -2.76 -0.04 0.00 -0.00 0.00 0.00 32.58 29.54 1a9y s HIS 257 CO -0.03 -0.62 0.08 0.42 -0.00 0.00 0.00 174.74 174.59 1a9y s ILE 258 N 1.98 4.78 -0.01 0.60 1.01 -1.26 -0.11 121.20 128.19 1a9y s ILE 258 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 1a9y s ILE 258 Cb -0.18 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.12 1a9y s ILE 258 CO 0.12 0.41 0.02 -0.31 0.00 0.00 0.00 174.94 175.18 1a9y s TYR 259 N 0.80 0.00 0.15 3.97 2.02 -0.48 -4.95 117.35 118.87 1a9y s TYR 259 Ca 0.04 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.53 1a9y s TYR 259 Cb -0.13 -0.09 -0.07 0.00 -0.40 0.00 0.00 41.96 41.26 1a9y s TYR 259 CO 0.02 -0.04 0.90 -0.80 -1.57 0.00 0.00 175.55 174.06 1a9y s ASN 260 N 0.45 7.49 -0.38 2.29 0.01 -1.26 -1.39 114.94 122.14 1a9y s ASN 260 Ca -0.04 1.77 -0.01 0.00 -0.71 0.00 0.00 52.86 53.87 1a9y s ASN 260 Cb -0.05 -2.57 0.10 0.00 0.41 0.00 0.00 41.25 39.14 1a9y s ASN 260 CO -0.01 0.05 0.14 -0.76 -1.51 0.00 0.00 177.10 175.01 1a9y s LEU 261 N -0.52 4.94 0.38 0.60 1.43 0.36 -4.78 118.68 121.10 1a9y s LEU 261 Ca 0.42 -1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 51.44 1a9y s LEU 261 Cb -0.24 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1a9y s LEU 261 CO 0.29 -0.47 0.75 -0.83 0.23 0.00 0.00 176.35 176.33 1a9y s GLY 262 N 1.55 0.52 0.39 -3.19 0.00 -1.26 -2.56 107.32 102.77 1a9y s GLY 262 Ca 0.07 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.15 1a9y s GLY 262 CO -0.05 -0.40 1.54 0.00 0.00 0.00 0.00 173.10 174.19 1a9y h ALA 263 N 2.01 0.91 0.00 3.20 0.00 -1.84 -3.43 119.26 120.10 1a9y h ALA 263 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a9y h ALA 263 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a9y h ALA 263 CO 0.41 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1a9y n GLY 264 N 1.13 0.50 3.13 0.00 0.00 -1.25 -4.92 105.19 103.79 1a9y n GLY 264 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1a9y n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9y s VAL 265 N -2.00 0.09 -0.00 1.61 0.11 -1.26 -4.80 120.40 114.15 1a9y s VAL 265 Ca 0.00 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1a9y s VAL 265 Cb 0.00 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1a9y s VAL 265 CO 0.00 -0.43 0.09 -0.83 -3.33 0.00 0.00 175.10 170.60 1a9y s GLY 266 N -1.62 2.03 -0.01 6.54 0.00 -1.26 -4.17 107.32 108.84 1a9y s GLY 266 Ca -0.12 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1a9y s GLY 266 CO -0.00 -0.74 -0.09 -1.31 0.00 0.00 0.00 173.10 170.96 1a9y s ASN 267 N -1.77 1.07 0.75 1.64 -0.87 0.00 -4.89 114.94 110.87 1a9y s ASN 267 Ca 0.23 -0.16 -0.08 0.00 -1.57 0.00 0.00 52.86 51.28 1a9y s ASN 267 Cb -0.12 -0.20 0.09 0.00 -0.02 0.00 0.00 41.25 41.00 1a9y s ASN 267 CO 0.15 0.08 1.07 -0.94 -2.57 0.00 0.00 177.10 174.89 1a9y s SER 268 N -0.01 4.48 0.23 -1.22 1.04 -1.26 -1.68 113.70 115.28 1a9y s SER 268 Ca 0.00 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.70 1a9y s SER 268 Cb -0.06 -0.85 0.24 0.00 0.10 0.00 0.00 66.02 65.45 1a9y s SER 268 CO -0.00 -1.82 1.89 0.58 0.98 0.00 0.00 173.24 174.87 1a9y h VAL 269 N -0.77 1.18 -0.37 5.02 2.07 -1.32 -1.83 116.25 120.22 1a9y h VAL 269 Ca -0.43 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1a9y h VAL 269 Cb 1.30 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1a9y h VAL 269 CO 0.55 0.21 -0.13 -0.07 0.02 0.00 0.00 177.57 178.15 1a9y h LEU 270 N 1.14 0.65 -0.64 2.57 3.38 -1.93 -1.33 115.31 119.15 1a9y h LEU 270 Ca 0.34 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1a9y h LEU 270 Cb -0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1a9y h LEU 270 CO -0.10 0.80 0.38 0.44 0.09 0.00 0.00 178.44 180.06 1a9y h ASP 271 N 0.60 0.60 -0.63 -0.43 3.32 -1.72 0.15 116.42 118.31 1a9y h ASP 271 Ca 0.10 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1a9y h ASP 271 Cb 0.57 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1a9y h ASP 271 CO 0.04 0.41 0.09 0.58 -1.72 0.00 0.00 179.24 178.63 1a9y h VAL 272 N 0.73 1.26 -0.45 -1.35 2.07 -1.02 -0.86 116.25 116.63 1a9y h VAL 272 Ca 0.27 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1a9y h VAL 272 Cb 0.08 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1a9y h VAL 272 CO -0.13 0.39 0.27 0.58 0.02 0.00 0.00 177.57 178.70 1a9y h VAL 273 N 0.97 1.14 -0.57 2.57 2.07 -0.65 0.10 116.25 121.88 1a9y h VAL 273 Ca 0.19 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1a9y h VAL 273 Cb 0.45 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1a9y h VAL 273 CO 0.01 0.14 0.01 0.78 0.02 0.00 0.00 177.57 178.54 1a9y h ASN 274 N 0.60 0.95 -0.26 0.57 -0.26 -0.57 0.93 115.58 117.53 1a9y h ASN 274 Ca 0.16 -0.25 -0.09 0.00 -0.56 0.00 0.00 56.30 55.56 1a9y h ASN 274 Cb -0.00 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1a9y h ASN 274 CO -0.03 1.00 -0.13 0.00 -1.06 0.00 0.00 177.43 177.20 1a9y h ALA 275 N 1.10 1.06 -0.19 -0.83 0.00 -0.68 -2.00 119.26 117.72 1a9y h ALA 275 Ca 0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1a9y h ALA 275 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a9y h ALA 275 CO 0.02 0.57 -0.54 0.35 0.00 0.00 0.00 179.25 179.66 1a9y h PHE 276 N 0.62 0.92 -0.78 0.00 3.04 -0.47 -1.91 116.94 118.35 1a9y h PHE 276 Ca 0.11 -0.36 0.09 0.00 3.98 0.00 0.00 57.97 61.79 1a9y h PHE 276 Cb 0.58 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.86 1a9y h PHE 276 CO 0.03 1.16 0.43 0.77 -2.02 0.00 0.00 178.31 178.68 1a9y h SER 277 N 0.42 0.61 -0.37 0.41 0.02 -0.63 0.41 113.55 114.42 1a9y h SER 277 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1a9y h SER 277 Cb 1.16 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1a9y h SER 277 CO 0.12 0.35 0.17 0.50 -1.14 0.00 0.00 176.83 176.83 1a9y h LYS 278 N 0.73 0.53 -0.33 3.45 3.64 -1.32 -0.59 116.57 122.70 1a9y h LYS 278 Ca 0.38 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1a9y h LYS 278 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1a9y h LYS 278 CO -0.25 0.48 -0.23 0.00 -2.27 0.00 0.00 179.45 177.19 1a9y h ALA 279 N 1.02 0.99 -0.38 5.00 0.00 -0.46 -3.03 119.26 122.39 1a9y h ALA 279 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a9y h ALA 279 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a9y h ALA 279 CO -0.02 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1a9y n GLY 281 N 1.38 0.03 3.42 0.00 0.00 -0.28 -4.97 105.19 104.77 1a9y n GLY 281 Ca 0.18 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1a9y n GLY 281 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9y s LYS 282 N -4.64 1.25 0.10 1.61 -2.85 -0.89 -5.04 119.74 109.28 1a9y s LYS 282 Ca 0.00 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 1a9y s LYS 282 Cb 0.00 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 36.29 1a9y s LYS 282 CO 0.00 -0.54 1.11 -1.25 0.10 0.00 0.00 175.35 174.78 1a9y s PRO 283 N -3.62 4.53 -0.02 1.78 0.04 -1.26 -4.36 135.00 132.10 1a9y s PRO 283 Ca 0.01 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1a9y s PRO 283 Cb -0.01 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1a9y s PRO 283 CO -0.12 -0.07 1.05 0.08 0.04 0.00 0.00 177.00 177.98 1a9y s VAL 284 N 0.46 4.63 0.32 -0.36 1.01 -1.26 -5.00 120.40 120.21 1a9y s VAL 284 Ca 0.53 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 64.13 1a9y s VAL 284 Cb -0.28 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1a9y s VAL 284 CO 0.31 0.10 1.15 0.21 0.00 0.00 0.00 175.10 176.87 1a9y s ASN 285 N 1.08 7.00 0.16 3.32 2.47 -1.26 -4.98 114.94 122.73 1a9y s ASN 285 Ca 0.53 2.34 -0.20 0.00 0.42 0.00 0.00 52.86 55.95 1a9y s ASN 285 Cb -0.22 -2.63 0.05 0.00 -1.45 0.00 0.00 41.25 37.01 1a9y s ASN 285 CO 0.26 -0.34 0.54 -0.72 -3.72 0.00 0.00 177.10 173.11 1a9y s TYR 286 N -1.25 -0.40 0.12 0.43 -0.85 -1.26 -1.33 117.35 112.82 1a9y s TYR 286 Ca 0.49 0.14 -0.05 0.00 -0.52 0.00 0.00 57.07 57.12 1a9y s TYR 286 Cb -0.32 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 1a9y s TYR 286 CO 0.42 -0.82 0.15 -3.38 -1.52 0.00 0.00 175.55 170.40 1a9y s HIS 287 N -3.78 0.49 -0.14 -3.49 -3.43 0.11 -4.81 115.29 100.24 1a9y s HIS 287 Ca 0.02 -0.90 -0.19 0.00 -0.80 0.00 0.00 55.06 53.20 1a9y s HIS 287 Cb -0.00 -0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 1a9y s HIS 287 CO -0.11 -0.57 0.51 -0.06 -2.00 0.00 0.00 174.74 172.50 1a9y s PHE 288 N -3.96 3.48 0.52 0.38 0.08 -1.26 0.01 117.98 117.23 1a9y s PHE 288 Ca 0.15 0.89 0.01 0.00 0.12 0.00 0.00 56.93 58.09 1a9y s PHE 288 Cb 0.06 -2.61 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1a9y s PHE 288 CO -0.04 0.08 0.01 0.00 -0.10 0.00 0.00 175.22 175.17 1a9y s ALA 289 N 0.95 4.20 0.70 5.36 0.00 0.17 -4.83 121.76 128.31 1a9y s ALA 289 Ca 0.26 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 1a9y s ALA 289 Cb -0.15 0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1a9y s ALA 289 CO 0.11 -0.02 1.07 -2.14 0.00 0.00 0.00 175.76 174.77 1a9y s PRO 290 N -3.90 2.89 0.42 0.00 0.02 -1.26 -1.24 135.00 131.92 1a9y s PRO 290 Ca 0.04 0.77 -0.24 0.00 0.02 0.00 0.00 61.00 61.59 1a9y s PRO 290 Cb 0.01 -2.00 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 1a9y s PRO 290 CO 0.02 -1.09 0.98 0.54 -0.33 0.00 0.00 177.00 177.13 1a9y n ARG 291 N -3.09 1.30 -3.30 5.54 1.74 -1.26 -3.45 116.66 114.13 1a9y n ARG 291 Ca 0.07 0.47 -0.38 0.00 -0.77 0.00 0.00 57.85 57.23 1a9y n ARG 291 Cb 0.55 -2.00 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 1a9y n ARG 291 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1a9y s ARG 292 N -1.98 4.29 0.04 5.56 3.52 -1.26 -4.86 118.95 124.26 1a9y s ARG 292 Ca 0.63 0.42 -0.37 0.00 -0.13 0.00 0.00 55.73 56.29 1a9y s ARG 292 Cb -0.56 -3.47 -0.16 0.00 -1.56 0.00 0.00 34.95 29.19 1a9y s ARG 292 CO 0.57 0.07 1.43 -1.91 -0.81 0.00 0.00 175.30 174.65 1a9y n GLU 293 N 4.01 1.26 0.00 5.12 4.07 -1.26 -1.50 120.64 132.34 1a9y n GLU 293 Ca -0.07 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1a9y n GLU 293 Cb 0.51 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1a9y n GLU 293 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a9y n GLY 294 N 2.88 1.80 3.73 8.31 0.00 -1.26 -5.04 105.19 115.61 1a9y n GLY 294 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1a9y n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a9y s ASP 295 N -2.25 6.84 0.32 1.61 1.01 -0.56 -5.02 116.67 118.62 1a9y s ASP 295 Ca 0.00 2.42 -0.08 0.00 0.71 0.00 0.00 52.55 55.59 1a9y s ASP 295 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1a9y s ASP 295 CO 0.00 -0.58 0.64 -0.76 0.21 0.00 0.00 175.17 174.68 1a9y s LEU 296 N 0.17 4.00 0.09 1.23 1.43 -1.26 -4.98 118.68 119.35 1a9y s LEU 296 Ca 0.59 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 54.44 1a9y s LEU 296 Cb -0.37 -3.77 -0.07 0.00 0.03 0.00 0.00 46.19 42.01 1a9y s LEU 296 CO 0.37 -0.24 1.56 1.55 0.23 0.00 0.00 176.35 179.82 1a9y h PRO 297 N 1.74 0.43 -1.80 1.29 0.13 -1.95 -3.44 132.00 128.40 1a9y h PRO 297 Ca -0.47 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1a9y h PRO 297 Cb 1.18 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.03 1a9y h PRO 297 CO 0.66 0.56 0.30 0.00 -0.23 0.00 0.00 178.00 179.29 1a9y s ALA 298 N -5.16 -1.87 -0.07 -0.56 0.00 -1.26 -1.13 121.76 111.71 1a9y s ALA 298 Ca -0.14 1.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 1a9y s ALA 298 Cb 0.08 -1.13 0.11 0.00 0.00 0.00 0.00 23.12 22.17 1a9y s ALA 298 CO 0.74 -0.30 0.91 1.52 0.00 0.00 0.00 175.76 178.63 1a9y s TYR 299 N 0.04 -0.39 0.25 0.00 -0.85 -0.89 -4.97 117.35 110.55 1a9y s TYR 299 Ca 0.00 0.48 -0.16 0.00 -0.52 0.00 0.00 57.07 56.87 1a9y s TYR 299 Cb -0.04 0.49 0.01 0.00 0.38 0.00 0.00 41.96 42.80 1a9y s TYR 299 CO -0.01 -0.47 0.56 1.67 -1.52 0.00 0.00 175.55 175.78 1a9y s TRP 300 N -2.10 0.11 0.35 -3.49 -2.14 -1.26 -3.28 118.94 107.14 1a9y s TRP 300 Ca 0.01 -0.50 -0.03 0.00 2.66 0.00 0.00 56.10 58.24 1a9y s TRP 300 Cb -0.01 0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 30.71 1a9y s TRP 300 CO -0.03 -1.06 0.60 0.00 -2.66 0.00 0.00 176.95 173.80 1a9y s ALA 301 N -3.96 3.61 -0.42 2.67 0.00 -1.26 -1.81 121.76 120.58 1a9y s ALA 301 Ca 0.17 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1a9y s ALA 301 Cb -0.02 -2.27 0.09 0.00 0.00 0.00 0.00 23.12 20.91 1a9y s ALA 301 CO 0.07 0.00 0.26 0.34 0.00 0.00 0.00 175.76 176.43 1a9y s ASP 302 N -3.75 5.58 -0.26 0.00 -1.08 -0.59 -3.78 116.67 112.80 1a9y s ASP 302 Ca 0.43 -1.61 0.13 0.00 -0.52 0.00 0.00 52.55 50.98 1a9y s ASP 302 Cb -0.10 -1.96 0.68 0.00 -1.46 0.00 0.00 42.92 40.07 1a9y s ASP 302 CO 0.36 -0.55 1.64 0.00 0.52 0.00 0.00 175.17 177.14 1a9y n ALA 303 N 4.87 3.89 0.03 3.66 0.00 -1.26 -4.59 120.51 127.11 1a9y n ALA 303 Ca -0.09 -2.32 -0.00 0.00 0.00 0.00 0.00 53.44 51.03 1a9y n ALA 303 Cb 0.42 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 19.17 1a9y n ALA 303 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a9y h SER 304 N 2.55 0.43 -0.41 0.00 4.64 -1.93 -3.03 113.55 115.80 1a9y h SER 304 Ca 0.11 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1a9y h SER 304 Cb 1.91 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 1a9y h SER 304 CO 0.49 0.56 0.17 0.50 -0.87 0.00 0.00 176.83 177.68 1a9y h LYS 305 N 0.42 0.60 0.00 4.77 3.64 -1.95 0.12 116.57 124.19 1a9y h LYS 305 Ca 0.08 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1a9y h LYS 305 Cb 0.42 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1a9y h LYS 305 CO 0.02 0.56 -0.37 0.00 -2.27 0.00 0.00 179.45 177.39 1a9y h ALA 306 N 1.02 1.32 0.66 5.00 0.00 -1.85 0.28 119.26 125.69 1a9y h ALA 306 Ca 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1a9y h ALA 306 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1a9y h ALA 306 CO -0.01 0.46 -0.32 0.22 0.00 0.00 0.00 179.25 179.60 1a9y h ASP 307 N 0.00 -0.75 -0.01 0.00 1.82 -1.20 0.16 116.42 116.44 1a9y h ASP 307 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1a9y h ASP 307 Cb 0.68 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 1a9y h ASP 307 CO 0.05 -0.38 -0.12 0.03 -1.61 0.00 0.00 179.24 177.21 1a9y h ARG 308 N -1.19 -0.19 0.03 0.28 3.08 -0.65 0.53 114.38 116.27 1a9y h ARG 308 Ca -0.09 0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.71 1a9y h ARG 308 Cb 0.70 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1a9y h ARG 308 CO 0.15 -0.13 -1.37 0.93 -1.07 0.00 0.00 179.97 178.48 1a9y h GLU 309 N -0.20 0.06 -0.03 0.04 5.08 -0.53 -3.37 114.58 115.64 1a9y h GLU 309 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1a9y h GLU 309 Cb 0.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a9y h GLU 309 CO -0.13 0.86 0.00 1.28 -1.00 0.00 0.00 179.01 180.02 1a9y n LEU 310 N -3.27 1.54 -3.27 1.33 4.77 0.45 -4.96 117.00 113.58 1a9y n LEU 310 Ca -0.10 -1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 54.50 1a9y n LEU 310 Cb 1.00 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 42.12 1a9y n LEU 310 CO 0.47 0.34 0.05 -3.20 -1.33 0.00 0.00 177.39 173.73 1a9y n ASN 311 N 0.22 -5.70 -4.45 -1.43 5.15 0.18 -4.95 115.26 104.28 1a9y n ASN 311 Ca 0.03 -0.40 -0.33 0.00 -0.60 0.00 0.00 54.58 53.29 1a9y n ASN 311 Cb 0.15 -4.58 -0.13 0.00 -0.53 0.00 0.00 39.78 34.68 1a9y n ASN 311 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1a9y s TRP 312 N -3.18 2.69 0.04 1.20 -0.00 -0.44 -4.94 118.94 114.31 1a9y s TRP 312 Ca 0.41 -0.24 -0.17 0.00 -0.00 0.00 0.00 56.10 56.10 1a9y s TRP 312 Cb -0.19 -1.65 0.03 0.00 -0.00 0.00 0.00 33.47 31.67 1a9y s TRP 312 CO 0.50 0.12 0.40 -0.98 -0.00 0.00 0.00 176.95 176.99 1a9y s ARG 313 N -0.59 0.90 0.56 5.86 1.70 -1.26 -2.84 118.95 123.29 1a9y s ARG 313 Ca 0.08 -0.38 -0.19 0.00 -0.47 0.00 0.00 55.73 54.77 1a9y s ARG 313 Cb -0.11 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1a9y s ARG 313 CO 0.01 -0.31 1.17 0.14 -1.08 0.00 0.00 175.30 175.24 1a9y s VAL 314 N -2.47 2.89 0.00 4.99 -7.23 -1.26 -4.95 120.40 112.37 1a9y s VAL 314 Ca -0.05 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1a9y s VAL 314 Cb -0.01 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1a9y s VAL 314 CO -0.02 -0.11 0.00 0.35 -0.31 0.00 0.00 175.10 175.01 1a9y n THR 315 N -1.40 0.00 -3.70 5.32 -2.24 -1.26 -5.06 114.28 105.94 1a9y n THR 315 Ca 0.12 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1a9y n THR 315 Cb 0.50 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 1a9y n THR 315 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a9y s ARG 316 N -0.64 3.58 0.49 -0.78 3.00 -1.26 -5.10 118.95 118.24 1a9y s ARG 316 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 55.73 55.64 1a9y s ARG 316 Cb 0.00 -2.86 0.04 0.00 0.00 0.00 0.00 34.95 32.13 1a9y s ARG 316 CO 0.00 0.46 0.64 0.95 0.00 0.00 0.00 175.30 177.36 1a9y s THR 317 N -1.70 2.58 0.24 0.02 -4.23 -1.26 -4.86 115.64 106.43 1a9y s THR 317 Ca 0.40 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 1a9y s THR 317 Cb -0.12 -2.62 0.21 0.00 1.34 0.00 0.00 72.50 71.32 1a9y s THR 317 CO 0.26 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.46 1a9y h LEU 318 N 0.48 1.10 -0.29 4.79 5.85 -1.99 -0.16 115.31 125.08 1a9y h LEU 318 Ca -0.36 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1a9y h LEU 318 Cb 1.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1a9y h LEU 318 CO 0.44 0.88 0.05 0.44 -0.34 0.00 0.00 178.44 179.92 1a9y h ASP 319 N 1.24 -0.00 -0.22 1.25 3.32 -1.94 0.24 116.42 120.30 1a9y h ASP 319 Ca 0.31 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 1a9y h ASP 319 Cb 0.02 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1a9y h ASP 319 CO -0.05 0.03 0.04 -0.33 -1.72 0.00 0.00 179.24 177.21 1a9y h GLU 320 N 0.16 0.46 -0.39 3.56 5.08 -1.80 0.40 114.58 122.05 1a9y h GLU 320 Ca 0.14 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1a9y h GLU 320 Cb 0.15 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1a9y h GLU 320 CO -0.19 0.47 0.11 0.52 -1.00 0.00 0.00 179.01 178.92 1a9y h MET 321 N 0.45 0.62 -0.15 2.33 2.86 0.38 0.37 114.93 121.79 1a9y h MET 321 Ca 0.10 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1a9y h MET 321 Cb 0.24 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1a9y h MET 321 CO 0.00 0.63 0.00 0.00 1.06 0.00 0.00 176.91 178.60 1a9y h ALA 322 N 0.96 0.20 -0.22 6.32 0.00 -0.14 -2.53 119.26 123.84 1a9y h ALA 322 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a9y h ALA 322 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a9y h ALA 322 CO -0.00 -0.10 0.13 1.96 0.00 0.00 0.00 179.25 181.24 1a9y h GLN 323 N 0.01 0.30 -0.29 0.00 4.20 -0.11 -0.67 115.11 118.55 1a9y h GLN 323 Ca 0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1a9y h GLN 323 Cb 0.36 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1a9y h GLN 323 CO 0.01 0.25 0.01 -0.44 -0.67 0.00 0.00 178.83 177.99 1a9y h ASP 324 N 0.27 0.39 -0.27 1.46 3.32 -0.29 0.33 116.42 121.63 1a9y h ASP 324 Ca 0.08 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 1a9y h ASP 324 Cb 0.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1a9y h ASP 324 CO -0.01 0.45 -0.52 0.74 -1.72 0.00 0.00 179.24 178.18 1a9y h THR 325 N 0.42 1.28 -0.69 0.35 2.02 -1.17 -2.61 112.91 112.51 1a9y h THR 325 Ca 0.09 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 1a9y h THR 325 Cb 0.26 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1a9y h THR 325 CO 0.01 0.55 0.35 -0.25 0.37 0.00 0.00 175.52 176.55 1a9y h TRP 326 N 0.59 0.97 -0.08 3.16 2.91 -0.56 0.13 115.95 123.07 1a9y h TRP 326 Ca 0.01 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.02 1a9y h TRP 326 Cb 1.13 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 1a9y h TRP 326 CO 0.08 0.70 -0.05 1.25 -1.03 0.00 0.00 178.44 179.39 1a9y h HIS 327 N 0.95 -0.12 -0.26 2.65 2.76 -0.92 0.24 115.15 120.46 1a9y h HIS 327 Ca 0.24 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1a9y h HIS 327 Cb 0.08 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1a9y h HIS 327 CO 0.00 -0.08 0.03 2.35 -1.30 0.00 0.00 177.93 178.93 1a9y h TRP 328 N -0.05 0.47 -0.80 5.26 2.91 -1.26 0.36 115.95 122.84 1a9y h TRP 328 Ca 0.05 -0.07 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1a9y h TRP 328 Cb 0.12 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1a9y h TRP 328 CO -0.16 0.57 0.53 0.37 -1.03 0.00 0.00 178.44 178.72 1a9y h GLN 329 N 0.24 1.02 0.06 2.65 5.75 -0.51 0.38 115.11 124.70 1a9y h GLN 329 Ca 0.08 -0.06 -0.28 0.00 -0.15 0.00 0.00 58.65 58.24 1a9y h GLN 329 Cb 0.36 -0.23 0.02 0.00 1.07 0.00 0.00 27.48 28.70 1a9y h GLN 329 CO 0.01 0.68 -1.13 0.66 -2.65 0.00 0.00 178.83 176.39 1a9y h SER 330 N 1.05 0.82 1.54 -0.69 4.64 -0.34 -2.83 113.55 117.75 1a9y h SER 330 Ca 0.30 -0.71 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 1a9y h SER 330 Cb -0.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1a9y h SER 330 CO -0.07 1.52 -0.25 0.03 -0.87 0.00 0.00 176.83 177.18 1a9y h ARG 331 N 0.31 0.00 -2.07 4.77 3.08 0.14 -3.38 114.38 117.23 1a9y h ARG 331 Ca -0.15 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.33 1a9y h ARG 331 Cb 1.79 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.45 1a9y h ARG 331 CO 0.21 0.25 -1.07 0.72 -1.07 0.00 0.00 179.97 179.02 1a9y n HIS 332 N -3.20 -0.28 0.28 3.04 8.25 0.13 -4.96 115.22 118.48 1a9y n HIS 332 Ca 0.02 -3.55 0.17 0.00 -0.26 0.00 0.00 57.72 54.10 1a9y n HIS 332 Cb 0.59 -0.26 0.95 0.00 1.12 0.00 0.00 29.99 32.38 1a9y n HIS 332 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1a9y h PRO 333 N 4.28 0.00 -0.58 -0.41 0.14 -1.69 0.61 132.00 134.36 1a9y h PRO 333 Ca 0.11 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.25 1a9y h PRO 333 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.02 1a9y h PRO 333 CO 0.46 0.00 0.00 1.04 0.14 0.00 0.00 178.00 179.64 1a9y n GLN 334 N -3.67 2.82 0.00 0.86 1.13 -1.26 -5.07 117.38 112.19 1a9y n GLN 334 Ca -0.02 -2.43 0.00 0.00 -1.94 0.00 0.00 57.00 52.61 1a9y n GLN 334 Cb 0.15 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.03 1a9y n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9y n GLY 335 N 1.18 1.36 3.76 1.08 0.00 0.21 -4.67 105.19 108.10 1a9y n GLY 335 Ca 0.19 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1a9y n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9y s TYR 336 N 0.00 3.80 0.62 1.61 2.02 -1.26 -4.94 117.35 119.20 1a9y s TYR 336 Ca 0.00 1.83 -0.16 0.00 -0.37 0.00 0.00 57.07 58.37 1a9y s TYR 336 Cb 0.00 -3.01 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1a9y s TYR 336 CO 0.00 0.18 1.10 -1.25 -1.57 0.00 0.00 175.55 174.01 1a9y s PRO 337 N -1.56 3.03 0.00 -1.71 0.04 -1.26 -5.05 135.00 128.49 1a9y s PRO 337 Ca 0.45 1.40 0.32 0.00 0.04 0.00 0.00 61.00 63.21 1a9y s PRO 337 Cb -0.24 -1.98 1.90 0.00 0.04 0.00 0.00 34.50 34.22 1a9y s PRO 337 CO 0.30 -1.07 2.23 -0.25 0.04 0.00 0.00 177.00 178.25