#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a99 s LYS 30 N 0.00 4.39 0.18 -1.09 1.02 -1.26 -5.01 119.74 117.98 1a99 s LYS 30 Ca 0.00 0.80 0.09 0.00 0.02 0.00 0.00 55.97 56.88 1a99 s LYS 30 Cb 0.00 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1a99 s LYS 30 CO 0.00 0.20 -0.18 0.95 -0.92 0.00 0.00 175.35 175.40 1a99 s THR 31 N 0.35 1.91 -0.03 2.17 -4.23 -1.26 -0.13 115.64 114.42 1a99 s THR 31 Ca 0.34 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1a99 s THR 31 Cb -0.18 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.75 1a99 s THR 31 CO 0.17 -0.36 0.05 -0.22 -0.54 0.00 0.00 174.62 173.73 1a99 s LEU 32 N -2.86 0.69 -0.26 4.79 0.20 -0.12 -4.78 118.68 116.35 1a99 s LEU 32 Ca 0.19 0.09 -0.07 0.00 0.69 0.00 0.00 54.13 55.02 1a99 s LEU 32 Cb -0.05 -0.05 -0.02 0.00 -0.43 0.00 0.00 46.19 45.64 1a99 s LEU 32 CO 0.08 -0.18 0.07 -1.00 -0.29 0.00 0.00 176.35 175.03 1a99 s HIS 33 N 1.50 3.09 -0.06 5.38 3.76 -1.26 0.35 115.29 128.05 1a99 s HIS 33 Ca -0.04 -0.52 0.06 0.00 -0.15 0.00 0.00 55.06 54.40 1a99 s HIS 33 Cb -0.13 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 1a99 s HIS 33 CO -0.03 -0.40 -0.24 0.42 -0.85 0.00 0.00 174.74 173.63 1a99 s ILE 34 N 1.60 2.01 -0.27 0.60 1.01 0.29 -0.75 121.20 125.68 1a99 s ILE 34 Ca 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1a99 s ILE 34 Cb -0.15 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.67 1a99 s ILE 34 CO 0.03 0.56 -0.08 -0.47 0.00 0.00 0.00 174.94 174.98 1a99 s TYR 35 N -0.07 3.29 0.12 3.97 5.04 -0.51 -0.53 117.35 128.66 1a99 s TYR 35 Ca -0.06 -2.24 0.02 0.00 -2.44 0.00 0.00 57.07 52.35 1a99 s TYR 35 Cb -0.14 -2.01 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 1a99 s TYR 35 CO 0.04 -0.86 -0.05 1.21 -1.34 0.00 0.00 175.55 174.55 1a99 s ASN 36 N 1.14 1.19 0.60 4.32 3.04 -0.30 -2.21 114.94 122.72 1a99 s ASN 36 Ca -0.07 -1.05 -0.19 0.00 0.04 0.00 0.00 52.86 51.59 1a99 s ASN 36 Cb -0.20 0.10 -0.04 0.00 -1.54 0.00 0.00 41.25 39.57 1a99 s ASN 36 CO -0.04 -0.48 1.13 0.79 -3.04 0.00 0.00 177.10 175.45 1a99 n TRP 37 N -0.10 1.41 -1.73 0.43 7.02 -1.26 -2.03 117.44 121.17 1a99 n TRP 37 Ca -0.11 0.43 -0.32 0.00 -1.02 0.00 0.00 57.50 56.49 1a99 n TRP 37 Cb 0.61 -2.22 0.04 0.00 -2.42 0.00 0.00 31.31 27.32 1a99 n TRP 37 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1a99 s SER 38 N -1.21 5.44 -1.51 -0.99 1.04 -0.65 -3.51 113.70 112.32 1a99 s SER 38 Ca 0.77 1.73 -0.08 0.00 0.48 0.00 0.00 55.95 58.85 1a99 s SER 38 Cb -0.41 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 63.26 1a99 s SER 38 CO 0.46 -1.40 0.65 0.47 0.98 0.00 0.00 173.24 174.40 1a99 n ASP 39 N -2.71 -2.07 -1.10 7.02 8.00 -1.26 -4.89 116.55 119.54 1a99 n ASP 39 Ca 0.08 -0.95 0.05 0.00 0.71 0.00 0.00 54.79 54.68 1a99 n ASP 39 Cb 0.53 -3.22 0.08 0.00 -0.02 0.00 0.00 41.12 38.49 1a99 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a99 n TYR 40 N -4.44 0.00 -3.45 1.24 9.36 -1.23 -4.95 117.16 113.69 1a99 n TYR 40 Ca -0.14 -0.79 -0.11 0.00 3.32 0.00 0.00 57.90 60.19 1a99 n TYR 40 Cb 0.60 -0.17 -0.02 0.00 -0.63 0.00 0.00 39.34 39.12 1a99 n TYR 40 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1a99 s ILE 41 N -1.09 0.00 0.48 2.97 2.07 -1.26 -4.96 121.20 119.40 1a99 s ILE 41 Ca 0.33 -0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.35 1a99 s ILE 41 Cb 0.35 -1.04 -0.09 0.00 0.13 0.00 0.00 42.46 41.82 1a99 s ILE 41 CO -0.12 0.00 0.98 0.00 -1.91 0.00 0.00 174.94 173.89 1a99 s ALA 42 N -3.64 3.00 0.57 1.50 0.00 -1.26 -4.80 121.76 117.14 1a99 s ALA 42 Ca 0.02 0.35 0.28 0.00 0.00 0.00 0.00 51.96 52.60 1a99 s ALA 42 Cb -0.01 -3.16 1.49 0.00 0.00 0.00 0.00 23.12 21.44 1a99 s ALA 42 CO -0.12 -0.14 1.97 -1.35 0.00 0.00 0.00 175.76 176.13 1a99 h PRO 43 N 1.38 0.00 -0.01 0.00 0.11 -1.97 -2.85 132.00 128.66 1a99 h PRO 43 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a99 h PRO 43 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1a99 h PRO 43 CO 0.61 0.00 -0.18 -0.40 -0.21 0.00 0.00 178.00 177.82 1a99 n ASP 44 N -4.00 1.35 -0.25 -2.05 5.75 -1.26 -4.72 116.55 111.37 1a99 n ASP 44 Ca 0.08 -1.17 0.06 0.00 -0.01 0.00 0.00 54.79 53.75 1a99 n ASP 44 Cb 0.59 0.39 0.19 0.00 -1.03 0.00 0.00 41.12 41.26 1a99 n ASP 44 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1a99 h THR 45 N 1.32 0.49 0.04 2.12 2.02 -1.89 0.11 112.91 117.11 1a99 h THR 45 Ca 0.00 -0.09 -0.23 0.00 0.77 0.00 0.00 66.41 66.87 1a99 h THR 45 Cb 0.37 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1a99 h THR 45 CO 0.00 0.05 -1.02 0.58 0.37 0.00 0.00 175.52 175.50 1a99 h VAL 46 N 0.26 1.52 -0.14 3.16 2.07 -1.84 -2.31 116.25 118.96 1a99 h VAL 46 Ca 0.43 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 1a99 h VAL 46 Cb 0.74 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1a99 h VAL 46 CO -0.53 0.83 0.04 0.00 0.02 0.00 0.00 177.57 177.93 1a99 h ALA 47 N 0.82 0.18 -0.14 1.67 0.00 -1.70 -0.58 119.26 119.51 1a99 h ALA 47 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1a99 h ALA 47 Cb 1.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1a99 h ALA 47 CO 0.16 -0.19 -0.04 -0.91 0.00 0.00 0.00 179.25 178.27 1a99 h ASN 48 N 0.04 -0.15 -0.42 0.00 2.35 -1.03 -0.79 115.58 115.58 1a99 h ASN 48 Ca 0.04 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1a99 h ASN 48 Cb 0.24 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1a99 h ASN 48 CO -0.00 -0.06 0.25 0.15 -1.65 0.00 0.00 177.43 176.12 1a99 h PHE 49 N -0.01 0.58 -0.38 1.19 3.57 -1.32 -1.57 116.94 119.00 1a99 h PHE 49 Ca 0.07 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1a99 h PHE 49 Cb 0.12 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1a99 h PHE 49 CO -0.18 0.40 -0.38 0.93 -2.23 0.00 0.00 178.31 176.84 1a99 h GLU 50 N 0.61 0.92 0.43 1.11 5.08 -0.37 -1.80 114.58 120.55 1a99 h GLU 50 Ca 0.16 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1a99 h GLU 50 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a99 h GLU 50 CO -0.03 1.13 -0.21 0.87 -1.00 0.00 0.00 179.01 179.77 1a99 h LYS 51 N 0.75 -0.57 -0.07 2.33 1.79 -0.50 0.39 116.57 120.70 1a99 h LYS 51 Ca 0.06 0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1a99 h LYS 51 Cb 0.97 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1a99 h LYS 51 CO 0.09 -0.38 -0.17 1.49 -1.08 0.00 0.00 179.45 179.41 1a99 h GLU 52 N -0.59 0.11 0.00 3.15 4.81 -1.31 -3.31 114.58 117.43 1a99 h GLU 52 Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1a99 h GLU 52 Cb 0.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1a99 h GLU 52 CO 0.09 0.28 -1.20 0.25 -0.73 0.00 0.00 179.01 177.70 1a99 n THR 53 N -4.29 0.00 -0.97 0.32 -2.24 -0.68 -5.00 114.28 101.42 1a99 n THR 53 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1a99 n THR 53 Cb 0.26 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1a99 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a99 n GLY 54 N 1.84 0.58 3.72 3.38 0.00 0.14 -5.00 105.19 109.84 1a99 n GLY 54 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1a99 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 55 N -2.48 4.96 -0.12 -0.61 1.01 -1.25 -4.67 121.20 118.04 1a99 s ILE 55 Ca 0.00 1.51 -0.24 0.00 0.00 0.00 0.00 60.65 61.93 1a99 s ILE 55 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1a99 s ILE 55 CO 0.00 0.28 0.73 -0.75 0.00 0.00 0.00 174.94 175.20 1a99 s LYS 56 N 0.58 4.35 -0.15 2.79 2.20 0.82 -4.48 119.74 125.85 1a99 s LYS 56 Ca 0.38 0.88 -0.04 0.00 -0.36 0.00 0.00 55.97 56.84 1a99 s LYS 56 Cb -0.19 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1a99 s LYS 56 CO 0.20 -0.12 -0.02 0.08 -0.36 0.00 0.00 175.35 175.13 1a99 s VAL 57 N 1.43 4.09 -0.35 4.02 1.01 -1.26 -0.94 120.40 128.40 1a99 s VAL 57 Ca 0.36 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1a99 s VAL 57 Cb -0.17 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1a99 s VAL 57 CO 0.15 0.51 0.15 -0.69 0.00 0.00 0.00 175.10 175.22 1a99 s VAL 58 N 0.14 4.18 -0.22 2.92 1.01 0.16 -4.94 120.40 123.65 1a99 s VAL 58 Ca -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1a99 s VAL 58 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1a99 s VAL 58 CO 0.02 -0.16 0.00 -0.47 0.00 0.00 0.00 175.10 174.49 1a99 s TYR 59 N 1.49 3.02 0.09 5.22 5.04 -1.26 -0.55 117.35 130.40 1a99 s TYR 59 Ca 0.01 -0.60 0.08 0.00 -2.44 0.00 0.00 57.07 54.12 1a99 s TYR 59 Cb -0.19 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 39.96 1a99 s TYR 59 CO 0.05 -0.36 -0.21 0.34 -1.34 0.00 0.00 175.55 174.02 1a99 s ASP 60 N 1.29 2.51 0.34 4.32 -1.08 0.30 -4.99 116.67 119.37 1a99 s ASP 60 Ca 0.04 -0.66 0.09 0.00 -0.52 0.00 0.00 52.55 51.50 1a99 s ASP 60 Cb -0.15 -0.14 -0.06 0.00 -1.46 0.00 0.00 42.92 41.11 1a99 s ASP 60 CO 0.01 0.07 -0.06 0.68 0.52 0.00 0.00 175.17 176.38 1a99 s VAL 61 N -1.12 2.36 0.22 1.11 -7.23 -1.25 -1.15 120.40 113.33 1a99 s VAL 61 Ca 0.06 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 1a99 s VAL 61 Cb -0.10 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 1a99 s VAL 61 CO 0.04 -0.20 0.44 0.72 -0.31 0.00 0.00 175.10 175.79 1a99 s PHE 62 N -2.58 0.29 -0.03 2.82 -0.12 -0.86 -4.89 117.98 112.61 1a99 s PHE 62 Ca 0.33 -0.65 0.09 0.00 -0.05 0.00 0.00 56.93 56.65 1a99 s PHE 62 Cb 0.02 0.16 0.17 0.00 -0.63 0.00 0.00 43.02 42.74 1a99 s PHE 62 CO 0.17 -0.92 1.07 -0.40 -0.05 0.00 0.00 175.22 175.10 1a99 n ASP 63 N -0.34 0.68 -3.73 1.98 5.75 -1.26 -1.63 116.55 118.00 1a99 n ASP 63 Ca -0.04 -2.28 -0.12 0.00 -0.01 0.00 0.00 54.79 52.34 1a99 n ASP 63 Cb 0.62 -0.28 -0.12 0.00 -1.03 0.00 0.00 41.12 40.32 1a99 n ASP 63 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1a99 s SER 64 N -1.64 -0.37 0.50 -1.12 1.04 -1.26 -4.79 113.70 106.05 1a99 s SER 64 Ca 0.15 0.69 0.17 0.00 0.48 0.00 0.00 55.95 57.44 1a99 s SER 64 Cb 0.15 0.61 1.21 0.00 0.10 0.00 0.00 66.02 68.10 1a99 s SER 64 CO -0.04 -0.16 2.09 0.78 0.98 0.00 0.00 173.24 176.90 1a99 h ASN 65 N 6.66 0.00 -0.32 7.02 2.35 -1.97 -2.77 115.58 126.55 1a99 h ASN 65 Ca -0.35 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.29 1a99 h ASN 65 Cb 1.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1a99 h ASN 65 CO 0.32 0.08 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.62 1a99 h GLU 66 N 0.00 0.72 -0.48 0.81 3.07 -1.96 -0.11 114.58 116.62 1a99 h GLU 66 Ca -0.00 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1a99 h GLU 66 Cb 0.14 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1a99 h GLU 66 CO 0.01 0.96 0.29 0.28 -1.40 0.00 0.00 179.01 179.15 1a99 h VAL 67 N 0.48 1.15 0.49 3.13 2.07 -1.91 -0.90 116.25 120.75 1a99 h VAL 67 Ca 0.06 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1a99 h VAL 67 Cb 0.79 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1a99 h VAL 67 CO 0.06 0.15 -0.23 0.25 0.02 0.00 0.00 177.57 177.82 1a99 h LEU 68 N 0.64 -0.55 -1.38 2.57 6.46 -1.42 -2.15 115.31 119.48 1a99 h LEU 68 Ca 0.17 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1a99 h LEU 68 Cb -0.01 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1a99 h LEU 68 CO -0.03 -0.39 0.55 -0.08 -0.62 0.00 0.00 178.44 177.86 1a99 h GLU 69 N -0.66 0.59 -0.08 1.25 4.81 -0.88 -0.77 114.58 118.85 1a99 h GLU 69 Ca -0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1a99 h GLU 69 Cb 0.50 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1a99 h GLU 69 CO 0.11 0.39 0.04 0.78 -0.73 0.00 0.00 179.01 179.60 1a99 h GLY 70 N 0.61 0.12 1.05 1.92 0.00 -0.77 -0.54 103.07 105.47 1a99 h GLY 70 Ca 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1a99 h GLY 70 CO -0.17 0.06 0.40 0.50 0.00 0.00 0.00 176.54 177.32 1a99 h LYS 71 N 0.01 1.22 -0.54 4.80 1.57 -0.63 -1.68 116.57 121.32 1a99 h LYS 71 Ca 0.03 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1a99 h LYS 71 Cb 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1a99 h LYS 71 CO -0.00 0.94 0.08 -0.07 -0.57 0.00 0.00 179.45 179.83 1a99 h LEU 72 N 1.20 0.86 -0.77 2.94 3.38 -0.97 -2.49 115.31 119.47 1a99 h LEU 72 Ca 0.29 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1a99 h LEU 72 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1a99 h LEU 72 CO -0.03 0.90 -0.51 0.24 0.09 0.00 0.00 178.44 179.12 1a99 h MET 73 N 0.78 0.00 0.00 1.13 2.86 -0.92 -2.57 114.93 116.21 1a99 h MET 73 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1a99 h MET 73 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1a99 h MET 73 CO 0.01 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.49 1a99 n ALA 74 N -2.35 2.15 -0.02 6.32 0.00 -0.65 -5.03 120.51 120.94 1a99 n ALA 74 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1a99 n ALA 74 Cb 0.59 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1a99 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a99 n GLY 75 N 1.04 -1.99 3.98 0.00 0.00 -0.95 -4.98 105.19 102.29 1a99 n GLY 75 Ca 0.05 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1a99 n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a99 n SER 76 N -2.49 -3.59 0.21 1.61 7.64 -1.26 -4.87 113.62 110.87 1a99 n SER 76 Ca -0.00 -1.20 0.07 0.00 1.01 0.00 0.00 58.87 58.75 1a99 n SER 76 Cb 0.01 -2.26 0.45 0.00 -1.01 0.00 0.00 64.21 61.40 1a99 n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1a99 h THR 77 N -2.28 0.85 -0.15 0.44 1.35 -1.93 -3.47 112.91 107.72 1a99 h THR 77 Ca -0.69 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 63.94 1a99 h THR 77 Cb 1.39 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1a99 h THR 77 CO 0.54 0.29 -0.04 0.61 -0.25 0.00 0.00 175.52 176.67 1a99 n GLY 78 N -0.15 0.48 3.47 5.82 0.00 -1.26 -5.05 105.19 108.51 1a99 n GLY 78 Ca -0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1a99 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a99 s PHE 79 N -2.08 2.50 -0.15 1.61 0.08 -1.26 -4.83 117.98 113.83 1a99 s PHE 79 Ca 0.00 -0.28 0.18 0.00 0.12 0.00 0.00 56.93 56.95 1a99 s PHE 79 Cb 0.00 -1.33 -0.25 0.00 -0.57 0.00 0.00 43.02 40.87 1a99 s PHE 79 CO 0.00 0.38 0.24 -0.25 -0.10 0.00 0.00 175.22 175.49 1a99 n ASP 80 N 0.79 0.14 -3.96 1.36 8.00 0.07 -4.49 116.55 118.46 1a99 n ASP 80 Ca -0.16 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1a99 n ASP 80 Cb 0.53 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 42.50 1a99 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a99 s LEU 81 N -5.41 2.11 0.04 0.64 1.43 -1.01 -4.02 118.68 112.46 1a99 s LEU 81 Ca -0.09 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1a99 s LEU 81 Cb 0.08 -0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 1a99 s LEU 81 CO 0.84 -0.10 0.12 0.68 0.23 0.00 0.00 176.35 178.12 1a99 s VAL 82 N -0.67 0.13 -0.63 -1.59 -7.23 -0.85 -1.42 120.40 108.14 1a99 s VAL 82 Ca -0.05 -1.07 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1a99 s VAL 82 Cb -0.05 -0.92 0.22 0.00 0.56 0.00 0.00 36.38 36.18 1a99 s VAL 82 CO -0.00 -0.59 0.62 0.52 -0.31 0.00 0.00 175.10 175.34 1a99 n VAL 83 N 0.71 1.68 -1.82 1.32 0.31 -0.94 -1.19 118.33 118.40 1a99 n VAL 83 Ca -0.19 -4.91 -0.31 0.00 -0.01 0.00 0.00 64.34 58.93 1a99 n VAL 83 Cb 0.59 -2.10 0.04 0.00 -0.91 0.00 0.00 33.84 31.46 1a99 n VAL 83 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a99 s PRO 84 N -1.89 3.09 0.56 5.55 0.04 -1.17 -4.62 135.00 136.56 1a99 s PRO 84 Ca 0.34 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 1a99 s PRO 84 Cb 0.08 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1a99 s PRO 84 CO -0.09 -0.91 1.02 -1.12 0.04 0.00 0.00 177.00 175.95 1a99 s SER 85 N -4.19 6.22 0.27 6.66 0.01 -1.26 -1.45 113.70 119.95 1a99 s SER 85 Ca 0.57 1.66 -0.02 0.00 1.31 0.00 0.00 55.95 59.46 1a99 s SER 85 Cb -0.12 -2.51 0.41 0.00 0.21 0.00 0.00 66.02 64.01 1a99 s SER 85 CO 0.53 -0.87 1.88 0.00 0.41 0.00 0.00 173.24 175.19 1a99 h ALA 86 N 0.57 1.39 -0.82 1.44 0.00 -1.19 -1.29 119.26 119.36 1a99 h ALA 86 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1a99 h ALA 86 Cb 1.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1a99 h ALA 86 CO 0.60 0.42 0.40 0.66 0.00 0.00 0.00 179.25 181.33 1a99 h SER 87 N 1.16 1.06 0.57 0.00 4.64 -1.87 -1.31 113.55 117.80 1a99 h SER 87 Ca 0.43 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.50 1a99 h SER 87 Cb 0.18 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1a99 h SER 87 CO -0.18 0.89 -0.63 -0.26 -0.87 0.00 0.00 176.83 175.78 1a99 h PHE 88 N 1.16 0.06 -0.50 4.77 -1.00 -1.82 -3.10 116.94 116.52 1a99 h PHE 88 Ca 0.28 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 1a99 h PHE 88 Cb 0.10 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1a99 h PHE 88 CO 0.01 0.66 0.28 1.25 -1.61 0.00 0.00 178.31 178.91 1a99 h LEU 89 N 0.03 0.61 -0.75 1.54 7.12 -0.36 -1.38 115.31 122.12 1a99 h LEU 89 Ca -0.01 -0.08 0.11 0.00 0.13 0.00 0.00 57.88 58.03 1a99 h LEU 89 Cb 1.11 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 41.01 1a99 h LEU 89 CO 0.08 0.51 0.37 -0.08 -0.13 0.00 0.00 178.44 179.20 1a99 h GLU 90 N 0.66 0.58 -0.15 1.25 4.81 -1.19 0.36 114.58 120.90 1a99 h GLU 90 Ca 0.18 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1a99 h GLU 90 Cb 0.03 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1a99 h GLU 90 CO -0.03 0.39 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.47 1a99 h ARG 91 N 0.60 0.32 0.00 1.92 2.43 -1.53 -3.14 114.38 114.99 1a99 h ARG 91 Ca 0.38 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1a99 h ARG 91 Cb 0.45 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1a99 h ARG 91 CO -0.30 0.65 -0.29 1.96 -1.51 0.00 0.00 179.97 180.48 1a99 h GLN 92 N -0.01 0.00 0.00 0.20 4.20 -0.55 -2.64 115.11 116.31 1a99 h GLN 92 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1a99 h GLN 92 Cb 0.55 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1a99 h GLN 92 CO 0.02 0.29 -0.11 1.37 -0.67 0.00 0.00 178.83 179.73 1a99 h LEU 93 N 0.00 0.00 -1.41 1.46 8.10 -0.94 -2.45 115.31 120.07 1a99 h LEU 93 Ca -0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 1a99 h LEU 93 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 1a99 h LEU 93 CO 0.04 0.11 -0.30 0.74 -4.11 0.00 0.00 178.44 174.92 1a99 h THR 94 N 0.00 1.10 -0.00 0.15 2.02 -1.42 -0.19 112.91 114.57 1a99 h THR 94 Ca -0.00 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1a99 h THR 94 Cb 0.93 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1a99 h THR 94 CO 0.01 0.29 -0.00 0.00 0.37 0.00 0.00 175.52 176.19 1a99 n ALA 95 N -2.43 2.62 -2.49 6.16 0.00 -0.94 -4.90 120.51 118.52 1a99 n ALA 95 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1a99 n ALA 95 Cb 0.36 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.31 1a99 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a99 n GLY 96 N 1.11 -0.11 0.14 0.00 0.00 -0.08 -4.93 105.19 101.31 1a99 n GLY 96 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1a99 n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a99 h VAL 97 N -0.44 1.15 -3.09 1.61 2.07 -1.73 -3.46 116.25 112.36 1a99 h VAL 97 Ca -0.32 -2.24 -0.62 0.00 0.82 0.00 0.00 66.70 64.34 1a99 h VAL 97 Cb 1.23 2.31 -0.12 0.00 -1.52 0.00 0.00 31.29 33.18 1a99 h VAL 97 CO 0.36 0.58 -0.68 -0.36 0.02 0.00 0.00 177.57 177.48 1a99 s PHE 98 N -3.22 2.83 0.04 1.57 0.08 -1.26 -1.07 117.98 116.94 1a99 s PHE 98 Ca 0.01 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 1a99 s PHE 98 Cb 0.10 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1a99 s PHE 98 CO 0.74 0.49 0.18 1.14 -0.10 0.00 0.00 175.22 177.68 1a99 s GLN 99 N -2.70 3.36 0.62 0.44 -2.07 -0.52 -4.61 119.66 114.18 1a99 s GLN 99 Ca 0.26 -0.43 -0.18 0.00 -1.82 0.00 0.00 55.36 53.19 1a99 s GLN 99 Cb -0.10 -3.02 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 1a99 s GLN 99 CO 0.17 0.63 1.19 -1.25 -1.32 0.00 0.00 175.29 174.71 1a99 s PRO 100 N -2.29 2.85 -0.08 9.60 0.05 -1.26 -4.58 135.00 139.28 1a99 s PRO 100 Ca 0.32 1.74 -0.22 0.00 0.05 0.00 0.00 61.00 62.88 1a99 s PRO 100 Cb -0.13 -1.92 -0.04 0.00 0.05 0.00 0.00 34.50 32.46 1a99 s PRO 100 CO 0.24 -1.28 0.66 -0.51 0.05 0.00 0.00 177.00 176.15 1a99 s LEU 101 N -4.33 4.31 -0.67 -3.56 1.43 0.16 -4.99 118.68 111.02 1a99 s LEU 101 Ca 0.75 1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 1a99 s LEU 101 Cb -0.28 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1a99 s LEU 101 CO 0.36 -0.10 1.12 -0.62 0.23 0.00 0.00 176.35 177.34 1a99 s ASP 102 N 0.77 6.22 0.46 2.29 2.15 -1.26 -4.88 116.67 122.41 1a99 s ASP 102 Ca 0.35 -0.56 0.31 0.00 0.43 0.00 0.00 52.55 53.09 1a99 s ASP 102 Cb -0.17 -2.50 1.46 0.00 -0.30 0.00 0.00 42.92 41.41 1a99 s ASP 102 CO 0.16 -1.59 1.94 0.11 -0.17 0.00 0.00 175.17 175.62 1a99 h LYS 103 N 9.73 0.00 0.00 4.34 1.57 -1.94 -1.25 116.57 129.02 1a99 h LYS 103 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1a99 h LYS 103 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1a99 h LYS 103 CO 1.21 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.75 1a99 h SER 104 N 0.00 0.00 -0.45 0.86 4.64 -2.01 -1.78 113.55 114.81 1a99 h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a99 h SER 104 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1a99 h SER 104 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a99 n LYS 105 N -2.42 2.26 -3.47 4.77 5.02 -0.47 -4.50 118.16 119.35 1a99 n LYS 105 Ca 0.02 -1.93 -0.26 0.00 -2.02 0.00 0.00 58.31 54.11 1a99 n LYS 105 Cb 0.26 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 1a99 n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a99 n LEU 106 N 1.10 1.33 -0.27 -0.35 4.77 -0.67 -4.92 117.00 117.99 1a99 n LEU 106 Ca 0.19 -4.86 0.08 0.00 -0.03 0.00 0.00 56.01 51.38 1a99 n LEU 106 Cb 0.48 0.03 0.21 0.00 -2.33 0.00 0.00 43.42 41.81 1a99 n LEU 106 CO 0.14 1.93 0.92 -0.65 -1.33 0.00 0.00 177.39 178.39 1a99 h PRO 107 N 4.88 0.22 -0.90 3.23 0.11 -1.79 -1.87 132.00 135.89 1a99 h PRO 107 Ca 0.18 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1a99 h PRO 107 Cb 0.82 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1a99 h PRO 107 CO 0.57 0.15 0.05 0.39 -0.21 0.00 0.00 178.00 178.94 1a99 n GLU 108 N -5.20 2.01 -0.19 1.05 1.02 -1.26 -4.19 120.64 113.88 1a99 n GLU 108 Ca 0.16 -0.95 0.18 0.00 -0.02 0.00 0.00 57.16 56.52 1a99 n GLU 108 Cb 0.53 -1.65 0.52 0.00 -0.02 0.00 0.00 31.44 30.82 1a99 n GLU 108 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1a99 h TRP 109 N 1.01 0.47 0.00 -0.32 2.91 -1.70 -0.50 115.95 117.83 1a99 h TRP 109 Ca 0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1a99 h TRP 109 Cb 1.10 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 1a99 h TRP 109 CO 0.37 0.16 0.00 1.63 -1.03 0.00 0.00 178.44 179.57 1a99 n LYS 110 N -4.48 0.19 0.14 2.65 5.02 -1.26 -1.95 118.16 118.48 1a99 n LYS 110 Ca 0.16 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 1a99 n LYS 110 Cb 0.62 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.23 1a99 n LYS 110 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1a99 h ASN 111 N 0.00 0.00 -3.41 4.39 2.35 -1.43 -3.46 115.58 114.02 1a99 h ASN 111 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1a99 h ASN 111 Cb 0.02 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.46 1a99 h ASN 111 CO 0.00 0.57 0.80 -0.76 -1.65 0.00 0.00 177.43 176.39 1a99 s LEU 112 N -6.77 4.37 0.11 1.61 1.43 -0.82 -0.15 118.68 118.46 1a99 s LEU 112 Ca 0.02 2.78 -0.33 0.00 -1.03 0.00 0.00 54.13 55.58 1a99 s LEU 112 Cb 0.09 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.56 1a99 s LEU 112 CO 0.74 -0.78 1.75 -0.67 0.23 0.00 0.00 176.35 177.63 1a99 n ASP 113 N 2.13 3.65 0.19 2.29 -0.08 0.95 -4.63 116.55 121.04 1a99 n ASP 113 Ca 0.07 1.02 0.04 0.00 -1.51 0.00 0.00 54.79 54.41 1a99 n ASP 113 Cb 0.39 -1.48 0.37 0.00 2.34 0.00 0.00 41.12 42.74 1a99 n ASP 113 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1a99 h PRO 114 N 7.62 0.00 -0.33 -0.67 0.13 -1.91 -2.66 132.00 134.19 1a99 h PRO 114 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1a99 h PRO 114 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1a99 h PRO 114 CO 0.93 0.38 -0.43 1.49 -0.23 0.00 0.00 178.00 180.14 1a99 h GLU 115 N 0.00 0.83 0.00 0.86 4.81 -1.99 -2.20 114.58 116.89 1a99 h GLU 115 Ca -0.00 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 1a99 h GLU 115 Cb 0.75 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1a99 h GLU 115 CO 0.05 1.09 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.95 1a99 h LEU 116 N 0.67 0.00 -0.69 1.64 3.38 -1.90 -2.53 115.31 115.88 1a99 h LEU 116 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1a99 h LEU 116 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1a99 h LEU 116 CO 0.10 0.40 -0.64 -0.07 0.09 0.00 0.00 178.44 178.31 1a99 h LEU 117 N 0.00 0.08 -0.23 1.67 3.38 -1.26 -1.68 115.31 117.26 1a99 h LEU 117 Ca -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1a99 h LEU 117 Cb 0.87 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1a99 h LEU 117 CO 0.05 0.70 0.00 0.11 0.09 0.00 0.00 178.44 179.39 1a99 h LYS 118 N 0.05 0.41 -0.13 1.13 1.57 -1.02 -0.99 116.57 117.59 1a99 h LYS 118 Ca -0.01 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1a99 h LYS 118 Cb 1.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1a99 h LYS 118 CO 0.09 0.59 0.02 -0.07 -0.57 0.00 0.00 179.45 179.51 1a99 h LEU 119 N 0.18 0.01 -1.63 2.94 3.38 -1.31 -1.94 115.31 116.93 1a99 h LEU 119 Ca 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1a99 h LEU 119 Cb 0.40 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1a99 h LEU 119 CO 0.01 0.02 -0.15 0.58 0.09 0.00 0.00 178.44 179.00 1a99 h VAL 120 N 0.08 0.50 0.00 1.22 2.07 -1.28 -2.87 116.25 115.97 1a99 h VAL 120 Ca 0.06 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1a99 h VAL 120 Cb 0.05 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1a99 h VAL 120 CO -0.08 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1a99 h ALA 121 N 1.85 1.00 0.00 1.67 0.00 -0.36 -0.06 119.26 123.36 1a99 h ALA 121 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1a99 h ALA 121 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a99 h ALA 121 CO 0.02 0.00 -0.27 0.87 0.00 0.00 0.00 179.25 179.87 1a99 h LYS 122 N 0.00 0.00 0.00 0.00 1.57 -1.43 -2.16 116.57 114.54 1a99 h LYS 122 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1a99 h LYS 122 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1a99 h LYS 122 CO 0.00 0.27 -2.11 0.72 -0.57 0.00 0.00 179.45 177.76 1a99 n HIS 123 N -4.21 0.00 -3.58 -1.35 8.25 -0.41 -4.74 115.22 109.18 1a99 n HIS 123 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1a99 n HIS 123 Cb 0.32 -0.67 -0.13 0.00 1.12 0.00 0.00 29.99 30.63 1a99 n HIS 123 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a99 s ASP 124 N -4.81 3.31 0.14 0.41 2.15 -0.17 -4.27 116.67 113.43 1a99 s ASP 124 Ca -0.08 -2.34 -0.31 0.00 0.43 0.00 0.00 52.55 50.24 1a99 s ASP 124 Cb 0.10 -0.69 -0.11 0.00 -0.30 0.00 0.00 42.92 41.93 1a99 s ASP 124 CO 0.84 -0.30 1.80 -2.16 -0.17 0.00 0.00 175.17 175.19 1a99 s PRO 125 N 0.80 4.14 -0.33 4.34 0.04 -0.83 -1.45 135.00 141.71 1a99 s PRO 125 Ca 0.17 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1a99 s PRO 125 Cb -0.23 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1a99 s PRO 125 CO -0.01 -0.82 0.00 -3.47 0.04 0.00 0.00 177.00 172.74 1a99 n ASP 126 N 5.34 -4.31 -4.12 6.66 2.03 -1.26 -3.63 116.55 117.26 1a99 n ASP 126 Ca 0.17 0.08 -0.33 0.00 0.52 0.00 0.00 54.79 55.23 1a99 n ASP 126 Cb 0.38 -2.08 -0.02 0.00 -0.72 0.00 0.00 41.12 38.68 1a99 n ASP 126 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1a99 n ASN 127 N -0.17 -2.76 0.21 1.67 3.02 -0.53 -4.87 115.26 111.84 1a99 n ASN 127 Ca -0.03 -0.98 0.13 0.00 -0.03 0.00 0.00 54.58 53.67 1a99 n ASN 127 Cb 0.26 -2.97 0.34 0.00 -0.61 0.00 0.00 39.78 36.80 1a99 n ASN 127 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 128 N -1.66 0.00 0.00 3.52 1.57 -1.77 -3.39 116.57 114.83 1a99 h LYS 128 Ca -0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1a99 h LYS 128 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1a99 h LYS 128 CO 0.73 0.00 -0.95 1.19 -0.57 0.00 0.00 179.45 179.85 1a99 n PHE 129 N -2.92 0.00 -4.14 -1.35 3.01 -1.26 -0.66 117.46 110.14 1a99 n PHE 129 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 1a99 n PHE 129 Cb 0.45 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.81 1a99 n PHE 129 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a99 s ALA 130 N -1.92 0.91 -0.28 4.37 0.00 -1.26 -4.40 121.76 119.18 1a99 s ALA 130 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1a99 s ALA 130 Cb 0.00 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.23 1a99 s ALA 130 CO 0.00 -0.09 -0.03 1.41 0.00 0.00 0.00 175.76 177.05 1a99 s MET 131 N -2.76 2.61 0.29 0.00 1.75 -0.58 -4.92 119.30 115.70 1a99 s MET 131 Ca 0.03 -1.14 -0.28 0.00 -1.25 0.00 0.00 55.69 53.05 1a99 s MET 131 Cb -0.02 -3.09 -0.14 0.00 2.84 0.00 0.00 34.83 34.42 1a99 s MET 131 CO -0.01 -0.52 1.10 -2.30 -0.65 0.00 0.00 175.02 172.64 1a99 n PRO 132 N 4.64 1.55 0.00 4.11 -0.02 -1.26 -1.23 135.00 142.80 1a99 n PRO 132 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1a99 n PRO 132 Cb 0.45 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1a99 n PRO 132 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1a99 n TYR 133 N 0.37 0.00 -4.30 6.00 9.36 -0.55 -4.70 117.16 123.35 1a99 n TYR 133 Ca 0.09 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 1a99 n TYR 133 Cb 0.33 0.01 -0.10 0.00 -0.63 0.00 0.00 39.34 38.95 1a99 n TYR 133 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1a99 s MET 134 N -0.66 1.24 -0.01 2.98 -1.94 -1.21 -1.74 119.30 117.97 1a99 s MET 134 Ca 0.00 -1.60 -0.18 0.00 -1.71 0.00 0.00 55.69 52.19 1a99 s MET 134 Cb 0.00 -0.58 0.03 0.00 2.01 0.00 0.00 34.83 36.29 1a99 s MET 134 CO 0.00 -0.05 0.39 1.67 -0.01 0.00 0.00 175.02 177.02 1a99 s TRP 135 N -3.42 -0.28 0.00 -0.03 1.48 -0.74 -1.15 118.94 114.80 1a99 s TRP 135 Ca 0.25 0.42 0.00 0.00 -1.06 0.00 0.00 56.10 55.71 1a99 s TRP 135 Cb 0.05 0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.53 1a99 s TRP 135 CO 0.06 -0.46 0.00 0.00 -4.06 0.00 0.00 176.95 172.49 1a99 n ALA 136 N 1.09 0.00 -2.39 2.67 0.00 -1.06 -3.58 120.51 117.24 1a99 n ALA 136 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1a99 n ALA 136 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1a99 n ALA 136 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a99 s THR 137 N -2.93 1.81 -0.34 0.00 -4.23 -1.26 -1.10 115.64 107.60 1a99 s THR 137 Ca 0.00 -2.21 -0.10 0.00 -1.18 0.00 0.00 61.69 58.20 1a99 s THR 137 Cb 0.00 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1a99 s THR 137 CO 0.00 -0.47 0.17 -0.89 -0.54 0.00 0.00 174.62 172.89 1a99 s THR 138 N -2.92 4.53 0.00 3.99 2.01 -0.21 -1.57 115.64 121.47 1a99 s THR 138 Ca 0.26 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1a99 s THR 138 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1a99 s THR 138 CO 0.10 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1a99 n GLY 139 N 4.98 5.34 3.42 4.40 0.00 0.12 -4.08 105.19 119.37 1a99 n GLY 139 Ca -0.13 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1a99 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 140 N 1.02 3.84 -0.16 -0.61 1.01 -0.66 -0.74 121.20 124.90 1a99 s ILE 140 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1a99 s ILE 140 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1a99 s ILE 140 CO 0.00 0.43 0.07 -0.83 0.00 0.00 0.00 174.94 174.61 1a99 s GLY 141 N 1.05 1.95 0.03 6.18 0.00 0.16 -0.58 107.32 116.11 1a99 s GLY 141 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 1a99 s GLY 141 CO 0.01 -0.09 0.31 -2.52 0.00 0.00 0.00 173.10 170.81 1a99 s TYR 142 N -0.03 -0.13 -0.57 1.90 1.13 -0.22 -0.64 117.35 118.79 1a99 s TYR 142 Ca 0.07 0.05 -0.27 0.00 -1.41 0.00 0.00 57.07 55.51 1a99 s TYR 142 Cb -0.12 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1a99 s TYR 142 CO 0.01 -0.47 1.09 1.21 -2.51 0.00 0.00 175.55 174.88 1a99 s ASN 143 N -1.86 6.40 0.22 -0.18 3.84 0.12 -1.15 114.94 122.33 1a99 s ASN 143 Ca -0.07 -0.09 -0.08 0.00 0.21 0.00 0.00 52.86 52.82 1a99 s ASN 143 Cb -0.02 -2.51 0.33 0.00 -0.55 0.00 0.00 41.25 38.51 1a99 s ASN 143 CO -0.01 -1.39 1.71 0.58 -2.79 0.00 0.00 177.10 175.20 1a99 h VAL 144 N 6.10 0.64 -0.10 -5.21 2.07 -1.06 -2.03 116.25 116.65 1a99 h VAL 144 Ca -0.25 -0.10 -0.23 0.00 0.82 0.00 0.00 66.70 66.93 1a99 h VAL 144 Cb 1.06 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1a99 h VAL 144 CO 1.15 0.05 -0.85 0.44 0.02 0.00 0.00 177.57 178.39 1a99 h ASP 145 N 0.30 0.92 -0.54 0.57 3.32 -1.92 -2.96 116.42 116.11 1a99 h ASP 145 Ca 0.34 -0.67 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1a99 h ASP 145 Cb 0.51 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1a99 h ASP 145 CO -0.41 1.45 0.09 0.11 -1.72 0.00 0.00 179.24 178.75 1a99 h LYS 146 N 0.47 0.89 -0.66 3.56 1.57 -1.90 -1.43 116.57 119.08 1a99 h LYS 146 Ca -0.08 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1a99 h LYS 146 Cb 1.49 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1a99 h LYS 146 CO 0.17 0.87 0.27 0.28 -0.57 0.00 0.00 179.45 180.47 1a99 h VAL 147 N 0.78 1.23 0.00 0.50 2.07 -1.45 -1.25 116.25 118.12 1a99 h VAL 147 Ca 0.16 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.86 1a99 h VAL 147 Cb 0.41 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1a99 h VAL 147 CO 0.01 0.28 -0.60 0.11 0.02 0.00 0.00 177.57 177.39 1a99 h LYS 148 N 0.95 0.00 -0.00 1.57 1.57 -1.33 0.54 116.57 119.85 1a99 h LYS 148 Ca 0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 1a99 h LYS 148 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1a99 h LYS 148 CO -0.02 0.60 -0.80 0.00 -0.57 0.00 0.00 179.45 178.66 1a99 h ALA 149 N 1.40 0.66 0.09 3.86 0.00 -0.74 -0.62 119.26 123.91 1a99 h ALA 149 Ca -0.01 -0.70 -0.36 0.00 0.00 0.00 0.00 54.91 53.85 1a99 h ALA 149 Cb 1.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1a99 h ALA 149 CO 0.08 0.92 -2.00 0.28 0.00 0.00 0.00 179.25 178.53 1a99 n VAL 150 N -3.66 1.72 0.34 0.00 0.31 -0.52 -4.42 118.33 112.10 1a99 n VAL 150 Ca -0.02 -0.58 0.09 0.00 -0.01 0.00 0.00 64.34 63.83 1a99 n VAL 150 Cb 0.76 -1.73 0.15 0.00 -0.91 0.00 0.00 33.84 32.11 1a99 n VAL 150 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a99 n LEU 151 N -3.57 2.99 0.00 7.52 4.77 0.17 -5.00 117.00 123.88 1a99 n LEU 151 Ca -0.34 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 1a99 n LEU 151 Cb 1.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1a99 n LEU 151 CO 0.37 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1a99 n GLY 152 N 1.13 -0.77 0.41 -0.72 0.00 -0.24 -4.15 105.19 100.85 1a99 n GLY 152 Ca 0.15 -1.67 0.23 0.00 0.00 0.00 0.00 46.02 44.72 1a99 n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a99 h GLU 153 N 0.00 0.00 -0.66 1.61 3.07 -1.93 -2.42 114.58 114.25 1a99 h GLU 153 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 1a99 h GLU 153 Cb 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 27.71 1a99 h GLU 153 CO 0.00 0.00 0.26 0.27 -1.40 0.00 0.00 179.01 178.14 1a99 n ASN 154 N -4.29 3.08 -4.52 1.42 6.94 -1.26 -5.02 115.26 111.60 1a99 n ASN 154 Ca 0.12 -3.71 -0.44 0.00 -0.02 0.00 0.00 54.58 50.53 1a99 n ASN 154 Cb 0.70 -0.73 -0.01 0.00 -2.36 0.00 0.00 39.78 37.38 1a99 n ASN 154 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a99 n ALA 155 N -1.14 -0.93 -1.07 -2.53 0.00 -0.91 -4.75 120.51 109.18 1a99 n ALA 155 Ca 0.46 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.91 1a99 n ALA 155 Cb 1.34 -1.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1a99 n ALA 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a99 n PRO 156 N 0.63 2.91 0.33 0.00 -0.04 -1.26 -4.69 135.00 132.88 1a99 n PRO 156 Ca 0.11 -1.76 0.22 0.00 -0.04 0.00 0.00 63.50 62.03 1a99 n PRO 156 Cb 0.34 -2.55 1.16 0.00 -0.04 0.00 0.00 33.50 32.41 1a99 n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a99 h VAL 157 N 2.98 0.06 -0.58 0.52 2.07 -1.99 -2.03 116.25 117.27 1a99 h VAL 157 Ca 0.65 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.17 1a99 h VAL 157 Cb 0.42 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1a99 h VAL 157 CO 1.43 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 178.12 1a99 n ASP 158 N -3.15 3.95 -4.04 0.57 5.75 -1.26 -4.83 116.55 113.53 1a99 n ASP 158 Ca -0.03 -2.27 -0.08 0.00 -0.01 0.00 0.00 54.79 52.40 1a99 n ASP 158 Cb 0.10 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.58 1a99 n ASP 158 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a99 s SER 159 N -0.88 0.41 0.12 -1.12 0.15 -0.76 -0.54 113.70 111.08 1a99 s SER 159 Ca 0.44 -0.76 0.18 0.00 0.70 0.00 0.00 55.95 56.50 1a99 s SER 159 Cb 0.27 0.15 0.76 0.00 -1.71 0.00 0.00 66.02 65.48 1a99 s SER 159 CO 0.23 -0.45 1.55 0.79 1.20 0.00 0.00 173.24 176.56 1a99 n TRP 160 N 0.82 0.37 0.18 3.44 7.02 -1.26 -2.40 117.44 125.61 1a99 n TRP 160 Ca -0.19 0.15 0.12 0.00 -1.02 0.00 0.00 57.50 56.56 1a99 n TRP 160 Cb 0.58 -0.74 0.66 0.00 -2.42 0.00 0.00 31.31 29.38 1a99 n TRP 160 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1a99 h ASP 161 N 0.00 0.00 -0.35 -0.99 3.32 -1.93 0.32 116.42 116.79 1a99 h ASP 161 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1a99 h ASP 161 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1a99 h ASP 161 CO 0.00 0.00 0.24 0.25 -1.72 0.00 0.00 179.24 178.01 1a99 h LEU 162 N 0.00 0.34 0.00 1.55 5.85 -1.60 -3.03 115.31 118.43 1a99 h LEU 162 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1a99 h LEU 162 Cb 0.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1a99 h LEU 162 CO -0.00 0.24 -0.31 0.00 -0.34 0.00 0.00 178.44 178.03 1a99 n ILE 163 N -4.49 0.00 0.10 4.05 3.06 -0.73 -4.33 119.36 117.02 1a99 n ILE 163 Ca 0.03 -0.28 0.06 0.00 -2.50 0.00 0.00 62.75 60.05 1a99 n ILE 163 Cb 0.12 0.80 0.11 0.00 0.54 0.00 0.00 39.64 41.21 1a99 n ILE 163 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1a99 n LEU 164 N -1.03 2.48 -4.44 9.51 4.77 0.11 -4.78 117.00 123.61 1a99 n LEU 164 Ca 0.00 -1.57 -0.38 0.00 -0.03 0.00 0.00 56.01 54.03 1a99 n LEU 164 Cb 0.00 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1a99 n LEU 164 CO 0.00 0.57 -0.23 -0.75 -1.33 0.00 0.00 177.39 175.65 1a99 s LYS 165 N -0.96 3.42 0.38 3.23 2.20 -1.14 -4.95 119.74 121.91 1a99 s LYS 165 Ca 0.19 -0.66 0.16 0.00 -0.36 0.00 0.00 55.97 55.30 1a99 s LYS 165 Cb 0.11 -3.50 1.05 0.00 -1.51 0.00 0.00 37.83 33.98 1a99 s LYS 165 CO 0.15 -0.35 1.77 -1.35 -0.36 0.00 0.00 175.35 175.20 1a99 h PRO 166 N 8.32 0.43 -0.45 4.03 0.11 -1.89 -1.12 132.00 141.41 1a99 h PRO 166 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1a99 h PRO 166 Cb 1.15 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1a99 h PRO 166 CO 0.60 0.28 0.23 1.05 -0.21 0.00 0.00 178.00 179.95 1a99 h GLU 167 N 0.44 0.63 0.06 1.05 9.09 -1.95 -1.65 114.58 122.25 1a99 h GLU 167 Ca 0.60 -0.06 -0.10 0.00 0.05 0.00 0.00 59.36 59.84 1a99 h GLU 167 Cb 1.43 -0.13 0.01 0.00 -1.65 0.00 0.00 28.75 28.41 1a99 h GLU 167 CO -0.32 0.48 -0.46 -0.91 0.05 0.00 0.00 179.01 177.85 1a99 h ASN 168 N 0.63 0.21 -0.01 3.06 2.35 -1.52 -3.28 115.58 117.03 1a99 h ASN 168 Ca 0.16 -0.95 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 1a99 h ASN 168 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1a99 h ASN 168 CO -0.02 1.21 0.02 0.25 -1.65 0.00 0.00 177.43 177.24 1a99 h LEU 169 N -0.70 0.00 -0.22 1.61 5.85 -1.31 -0.99 115.31 119.55 1a99 h LEU 169 Ca -0.09 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 1a99 h LEU 169 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1a99 h LEU 169 CO 0.06 0.00 -0.62 -0.33 -0.34 0.00 0.00 178.44 177.21 1a99 h GLU 170 N 0.00 0.80 -0.40 1.25 5.08 -1.37 -1.09 114.58 118.85 1a99 h GLU 170 Ca 0.00 -0.57 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 1a99 h GLU 170 Cb 0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1a99 h GLU 170 CO -0.00 1.19 -0.19 0.87 -1.00 0.00 0.00 179.01 179.88 1a99 h LYS 171 N 0.55 0.77 0.00 2.33 1.79 -1.27 -3.09 116.57 117.65 1a99 h LYS 171 Ca -0.02 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1a99 h LYS 171 Cb 1.24 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1a99 h LYS 171 CO 0.13 0.90 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.21 1a99 h LEU 172 N 0.68 0.00 -1.26 2.94 3.38 -1.29 -3.34 115.31 116.42 1a99 h LEU 172 Ca 0.10 -0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.32 1a99 h LEU 172 Cb 0.69 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1a99 h LEU 172 CO 0.05 0.02 0.66 0.50 0.09 0.00 0.00 178.44 179.76 1a99 h LYS 173 N 0.00 0.39 0.36 1.13 3.64 -1.11 -2.11 116.57 118.87 1a99 h LYS 173 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1a99 h LYS 173 Cb 0.78 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1a99 h LYS 173 CO 0.00 0.26 -0.27 0.66 -2.27 0.00 0.00 179.45 177.83 1a99 h SER 174 N 0.40 -0.69 0.00 4.20 4.64 -1.78 -2.97 113.55 117.36 1a99 h SER 174 Ca 0.64 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1a99 h SER 174 Cb 1.56 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1a99 h SER 174 CO -0.37 -0.41 0.00 0.00 -0.87 0.00 0.00 176.83 175.19 1a99 n GLY 176 N 0.95 1.70 3.01 0.00 0.00 -1.08 -1.82 105.19 107.95 1a99 n GLY 176 Ca 0.22 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1a99 n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 177 N 0.00 0.76 0.08 1.61 1.01 -1.26 -1.26 120.40 121.33 1a99 s VAL 177 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1a99 s VAL 177 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1a99 s VAL 177 CO 0.00 0.23 -0.13 -0.94 0.00 0.00 0.00 175.10 174.26 1a99 s SER 178 N 0.05 1.61 0.06 3.32 1.04 -0.92 -1.25 113.70 117.60 1a99 s SER 178 Ca -0.01 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1a99 s SER 178 Cb -0.07 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1a99 s SER 178 CO 0.00 -0.11 -0.19 -0.36 0.98 0.00 0.00 173.24 173.56 1a99 s PHE 179 N -1.48 1.62 0.40 5.02 0.40 -0.63 -2.00 117.98 121.31 1a99 s PHE 179 Ca -0.01 -0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 55.68 1a99 s PHE 179 Cb -0.09 -0.93 -0.08 0.00 0.51 0.00 0.00 43.02 42.42 1a99 s PHE 179 CO 0.02 0.11 1.15 -0.51 0.70 0.00 0.00 175.22 176.69 1a99 s LEU 180 N -1.44 4.19 -1.07 -0.37 1.43 -1.24 -0.27 118.68 119.90 1a99 s LEU 180 Ca 0.05 2.30 -0.06 0.00 -1.03 0.00 0.00 54.13 55.38 1a99 s LEU 180 Cb -0.09 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1a99 s LEU 180 CO 0.02 -0.65 2.72 -0.67 0.23 0.00 0.00 176.35 178.01 1a99 n ASP 181 N 0.05 7.60 -3.80 2.29 2.03 -1.26 -4.68 116.55 118.79 1a99 n ASP 181 Ca 0.04 -2.96 -0.30 0.00 0.52 0.00 0.00 54.79 52.09 1a99 n ASP 181 Cb 0.47 -1.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.35 1a99 n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a99 s ALA 182 N -0.33 2.54 0.10 -1.67 0.00 -1.26 -4.90 121.76 116.24 1a99 s ALA 182 Ca 0.60 -2.82 -0.25 0.00 0.00 0.00 0.00 51.96 49.49 1a99 s ALA 182 Cb 0.24 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 1a99 s ALA 182 CO -0.10 -2.04 1.42 -1.00 0.00 0.00 0.00 175.76 174.03 1a99 h PRO 183 N 6.68 -0.29 -0.51 0.00 0.13 -1.99 0.27 132.00 136.28 1a99 h PRO 183 Ca -0.04 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1a99 h PRO 183 Cb 0.92 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1a99 h PRO 183 CO 0.55 -0.19 0.34 0.93 -0.23 0.00 0.00 178.00 179.40 1a99 h GLU 184 N -0.30 0.34 0.08 0.86 5.08 -1.96 -0.84 114.58 117.83 1a99 h GLU 184 Ca 0.06 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1a99 h GLU 184 Cb 0.45 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.64 1a99 h GLU 184 CO -0.46 0.22 -0.66 0.93 -1.00 0.00 0.00 179.01 178.04 1a99 h GLU 185 N 0.35 0.30 -0.15 2.33 5.08 -1.84 -2.71 114.58 117.94 1a99 h GLU 185 Ca 0.23 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1a99 h GLU 185 Cb 0.46 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1a99 h GLU 185 CO -0.06 1.17 0.04 0.28 -1.00 0.00 0.00 179.01 179.44 1a99 h VAL 186 N -0.35 1.19 -0.71 3.13 2.07 -0.71 -2.10 116.25 118.78 1a99 h VAL 186 Ca -0.11 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1a99 h VAL 186 Cb 1.46 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 1a99 h VAL 186 CO 0.13 0.18 0.42 -0.26 0.02 0.00 0.00 177.57 178.05 1a99 h PHE 187 N 0.06 0.77 -0.64 1.57 0.04 -1.28 -0.02 116.94 117.44 1a99 h PHE 187 Ca 0.05 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1a99 h PHE 187 Cb 0.24 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1a99 h PHE 187 CO 0.00 0.40 0.21 0.00 -0.60 0.00 0.00 178.31 178.32 1a99 h ALA 188 N 1.34 1.17 -0.01 2.45 0.00 -1.38 0.38 119.26 123.21 1a99 h ALA 188 Ca 0.31 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1a99 h ALA 188 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a99 h ALA 188 CO -0.16 0.58 -0.85 0.00 0.00 0.00 0.00 179.25 178.82 1a99 h THR 189 N 0.94 1.44 -0.42 0.00 1.03 -0.64 -2.16 112.91 113.10 1a99 h THR 189 Ca 0.21 -2.45 -0.08 0.00 -0.01 0.00 0.00 66.41 64.08 1a99 h THR 189 Cb 0.25 2.37 -0.01 0.00 -1.07 0.00 0.00 68.15 69.68 1a99 h THR 189 CO -0.01 0.72 -0.07 0.58 -0.01 0.00 0.00 175.52 176.74 1a99 h VAL 190 N 0.17 1.27 -0.61 0.00 2.07 -0.75 -1.01 116.25 117.40 1a99 h VAL 190 Ca -0.05 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1a99 h VAL 190 Cb 1.47 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1a99 h VAL 190 CO 0.14 0.39 0.37 -0.07 0.02 0.00 0.00 177.57 178.41 1a99 h LEU 191 N 0.61 0.73 -0.89 2.57 3.38 -0.89 -0.81 115.31 120.01 1a99 h LEU 191 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1a99 h LEU 191 Cb 0.58 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1a99 h LEU 191 CO 0.03 0.57 0.06 -1.13 0.09 0.00 0.00 178.44 178.07 1a99 h ASN 192 N 0.82 0.84 -0.41 -0.43 -0.73 -1.22 -0.24 115.58 114.21 1a99 h ASN 192 Ca 0.22 -0.19 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 1a99 h ASN 192 Cb -0.02 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 1a99 h ASN 192 CO -0.04 0.87 0.08 0.22 -0.37 0.00 0.00 177.43 178.19 1a99 h TYR 193 N 0.83 0.78 0.00 0.67 3.20 -0.54 -2.09 116.97 119.82 1a99 h TYR 193 Ca 0.17 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1a99 h TYR 193 Cb 0.41 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1a99 h TYR 193 CO 0.02 0.68 0.00 1.28 -1.64 0.00 0.00 178.16 178.51 1a99 n LEU 194 N -4.27 0.00 0.00 2.82 4.77 -0.37 -4.85 117.00 115.10 1a99 n LEU 194 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1a99 n LEU 194 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1a99 n LEU 194 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1a99 n GLY 195 N 0.67 0.66 4.01 -0.72 0.00 -0.79 -5.04 105.19 103.99 1a99 n GLY 195 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1a99 n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a99 s LYS 196 N -0.16 2.28 0.01 1.61 1.02 -0.15 -5.00 119.74 119.34 1a99 s LYS 196 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 1a99 s LYS 196 Cb 0.00 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1a99 s LYS 196 CO 0.00 -0.88 1.33 0.34 -0.92 0.00 0.00 175.35 175.23 1a99 s ASP 197 N -4.59 6.92 0.56 2.83 -1.08 -1.26 -3.94 116.67 116.11 1a99 s ASP 197 Ca 0.61 2.06 0.25 0.00 -0.52 0.00 0.00 52.55 54.95 1a99 s ASP 197 Cb -0.07 -2.56 1.53 0.00 -1.46 0.00 0.00 42.92 40.35 1a99 s ASP 197 CO 0.39 -0.65 2.12 -0.65 0.52 0.00 0.00 175.17 176.90 1a99 h PRO 198 N 7.53 0.00 -0.92 4.34 0.11 -1.85 -1.52 132.00 139.69 1a99 h PRO 198 Ca -0.38 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.14 1a99 h PRO 198 Cb 1.18 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.90 1a99 h PRO 198 CO 0.88 0.00 -0.33 0.09 -0.21 0.00 0.00 178.00 178.43 1a99 n ASN 199 N -4.13 5.68 -4.65 -2.05 3.02 -1.26 -4.42 115.26 107.45 1a99 n ASN 199 Ca 0.01 -3.76 -0.45 0.00 -0.03 0.00 0.00 54.58 50.35 1a99 n ASN 199 Cb 0.27 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1a99 n ASN 199 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a99 n SER 200 N -0.74 2.37 -0.95 6.41 2.88 -0.57 -4.89 113.62 118.13 1a99 n SER 200 Ca 0.49 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 59.29 1a99 n SER 200 Cb 0.84 -1.38 0.26 0.00 -0.75 0.00 0.00 64.21 63.19 1a99 n SER 200 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a99 n THR 201 N 1.64 0.41 -3.20 2.46 -2.24 -1.26 -4.86 114.28 107.24 1a99 n THR 201 Ca 0.12 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1a99 n THR 201 Cb 0.30 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1a99 n THR 201 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a99 s LYS 202 N -1.59 3.40 0.55 -0.78 1.02 -1.26 -4.94 119.74 116.14 1a99 s LYS 202 Ca 0.36 -0.34 0.26 0.00 0.02 0.00 0.00 55.97 56.28 1a99 s LYS 202 Cb 0.21 -3.89 1.47 0.00 -0.52 0.00 0.00 37.83 35.09 1a99 s LYS 202 CO 0.29 -0.83 2.01 0.00 -0.92 0.00 0.00 175.35 175.91 1a99 h ALA 203 N 8.67 2.26 -0.05 5.17 0.00 -1.98 -1.76 119.26 131.57 1a99 h ALA 203 Ca -0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1a99 h ALA 203 Cb 1.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1a99 h ALA 203 CO 0.83 -0.55 -0.31 -0.44 0.00 0.00 0.00 179.25 178.77 1a99 h ASP 204 N 0.00 0.09 -0.20 0.00 3.32 -1.98 -2.60 116.42 115.06 1a99 h ASP 204 Ca 0.19 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1a99 h ASP 204 Cb 0.87 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1a99 h ASP 204 CO -0.00 0.41 -0.03 0.44 -1.72 0.00 0.00 179.24 178.33 1a99 h ASP 205 N 0.08 0.48 0.16 6.45 3.32 -1.71 0.66 116.42 125.86 1a99 h ASP 205 Ca 0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1a99 h ASP 205 Cb 0.60 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1a99 h ASP 205 CO 0.04 0.57 -0.08 1.88 -1.72 0.00 0.00 179.24 179.94 1a99 h TYR 206 N 0.48 -0.20 0.00 4.55 -1.99 -1.59 -1.99 116.97 116.23 1a99 h TYR 206 Ca 0.10 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 1a99 h TYR 206 Cb 0.37 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1a99 h TYR 206 CO 0.01 -0.00 -0.36 1.79 -0.00 0.00 0.00 178.16 179.60 1a99 h THR 207 N -1.03 1.01 0.00 -2.88 1.35 -1.54 -1.35 112.91 108.47 1a99 h THR 207 Ca -0.02 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1a99 h THR 207 Cb 0.28 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1a99 h THR 207 CO 0.04 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1a99 n GLY 208 N -0.13 1.71 0.20 5.82 0.00 0.23 -4.43 105.19 108.59 1a99 n GLY 208 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1a99 n GLY 208 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a99 h PRO 209 N 0.00 0.07 0.25 1.61 0.11 -1.69 -1.75 132.00 130.59 1a99 h PRO 209 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1a99 h PRO 209 Cb 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1a99 h PRO 209 CO 0.00 0.04 -0.44 0.00 -0.21 0.00 0.00 178.00 177.40 1a99 h ALA 210 N 1.48 -0.86 0.00 -0.75 0.00 -1.49 -1.25 119.26 116.39 1a99 h ALA 210 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a99 h ALA 210 Cb 0.39 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1a99 h ALA 210 CO -0.47 -1.04 -0.08 1.15 0.00 0.00 0.00 179.25 178.82 1a99 h THR 211 N -0.76 1.00 0.16 0.00 2.02 -1.05 -2.16 112.91 112.11 1a99 h THR 211 Ca -0.01 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1a99 h THR 211 Cb 0.73 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1a99 h THR 211 CO -0.18 0.07 -0.08 0.44 0.37 0.00 0.00 175.52 176.15 1a99 h ASP 212 N 0.00 -0.18 -0.32 4.18 3.32 -0.62 -0.79 116.42 122.00 1a99 h ASP 212 Ca -0.00 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.87 1a99 h ASP 212 Cb 0.14 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1a99 h ASP 212 CO 0.01 0.12 0.12 0.25 -1.72 0.00 0.00 179.24 178.03 1a99 h LEU 213 N -0.51 0.14 -0.55 1.55 6.46 -1.04 -1.12 115.31 120.25 1a99 h LEU 213 Ca -0.02 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1a99 h LEU 213 Cb 0.39 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1a99 h LEU 213 CO 0.04 0.12 0.35 -0.07 -0.62 0.00 0.00 178.44 178.25 1a99 h LEU 214 N 0.27 0.59 -1.32 2.25 3.38 -1.35 -0.20 115.31 118.92 1a99 h LEU 214 Ca 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1a99 h LEU 214 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1a99 h LEU 214 CO -0.14 0.42 -0.21 -0.07 0.09 0.00 0.00 178.44 178.53 1a99 h LEU 215 N 0.70 0.19 -0.33 1.67 3.38 -0.84 0.46 115.31 120.53 1a99 h LEU 215 Ca 0.21 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1a99 h LEU 215 Cb -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1a99 h LEU 215 CO -0.06 0.41 -0.22 0.11 0.09 0.00 0.00 178.44 178.77 1a99 h LYS 216 N 0.18 0.74 -0.04 1.13 1.57 -0.34 -3.20 116.57 116.60 1a99 h LYS 216 Ca 0.03 -0.35 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 1a99 h LYS 216 Cb 0.48 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1a99 h LYS 216 CO 0.03 0.96 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.96 1a99 h LEU 217 N 0.51 0.53 -0.88 2.94 3.38 -0.70 -3.38 115.31 117.71 1a99 h LEU 217 Ca 0.07 -0.39 0.25 0.00 0.09 0.00 0.00 57.88 57.90 1a99 h LEU 217 Cb 0.78 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.20 1a99 h LEU 217 CO 0.06 1.16 0.04 -1.14 0.09 0.00 0.00 178.44 178.66 1a99 n ARG 218 N -3.79 -0.07 0.16 1.13 0.00 0.16 -1.14 116.66 113.11 1a99 n ARG 218 Ca -0.06 1.32 0.12 0.00 -0.00 0.00 0.00 57.85 59.24 1a99 n ARG 218 Cb 0.78 -2.11 0.56 0.00 0.00 0.00 0.00 32.46 31.69 1a99 n ARG 218 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1a99 h PRO 219 N 0.00 0.00 -0.01 -0.14 0.13 -1.75 -2.73 132.00 127.50 1a99 h PRO 219 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.68 1a99 h PRO 219 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a99 h PRO 219 CO -0.82 0.00 -0.29 0.09 -0.23 0.00 0.00 178.00 176.74 1a99 n ASN 220 N -2.32 1.18 -4.60 1.44 3.02 -0.29 -4.87 115.26 108.82 1a99 n ASN 220 Ca 0.01 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 1a99 n ASN 220 Cb 0.16 0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 1a99 n ASN 220 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a99 s ILE 221 N -2.50 5.04 0.24 2.41 1.01 -1.03 -4.48 121.20 121.90 1a99 s ILE 221 Ca 0.23 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.63 1a99 s ILE 221 Cb 0.19 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1a99 s ILE 221 CO 0.53 -0.01 1.60 -0.09 0.00 0.00 0.00 174.94 176.97 1a99 h ARG 222 N 8.15 0.42 -2.01 2.79 2.43 -1.50 -3.47 114.38 121.19 1a99 h ARG 222 Ca -0.29 -0.23 0.17 0.00 -0.81 0.00 0.00 59.98 58.82 1a99 h ARG 222 Cb 1.14 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.54 1a99 h ARG 222 CO 0.73 0.80 0.60 1.52 -1.51 0.00 0.00 179.97 182.11 1a99 s TYR 223 N -4.11 -0.25 -0.36 2.20 -0.85 -1.21 -5.06 117.35 107.71 1a99 s TYR 223 Ca -0.06 0.13 -0.05 0.00 -0.52 0.00 0.00 57.07 56.57 1a99 s TYR 223 Cb 0.12 0.54 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1a99 s TYR 223 CO 0.81 -0.45 0.14 -0.06 -1.52 0.00 0.00 175.55 174.46 1a99 s PHE 224 N -2.90 3.36 -0.13 -3.49 0.40 -1.26 -1.61 117.98 112.35 1a99 s PHE 224 Ca 0.07 -1.80 -0.15 0.00 -0.60 0.00 0.00 56.93 54.45 1a99 s PHE 224 Cb -0.01 -2.61 0.04 0.00 0.51 0.00 0.00 43.02 40.95 1a99 s PHE 224 CO -0.07 -0.83 0.41 -1.58 0.70 0.00 0.00 175.22 173.85 1a99 s HIS 225 N 1.31 -0.42 -1.10 0.36 2.46 0.63 -4.61 115.29 113.91 1a99 s HIS 225 Ca 0.01 1.00 0.18 0.00 0.47 0.00 0.00 55.06 56.72 1a99 s HIS 225 Cb -0.21 0.16 0.75 0.00 -0.13 0.00 0.00 32.58 33.14 1a99 s HIS 225 CO -0.00 -0.25 1.66 0.43 -2.47 0.00 0.00 174.74 174.10 1a99 n SER 226 N 2.58 4.91 0.00 9.88 7.64 -1.26 -4.07 113.62 133.30 1a99 n SER 226 Ca -0.14 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.26 1a99 n SER 226 Cb 0.57 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1a99 n SER 226 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a99 n SER 227 N 1.15 0.00 0.09 6.43 3.41 -1.26 -4.92 113.62 118.52 1a99 n SER 227 Ca 0.27 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 59.05 1a99 n SER 227 Cb 0.93 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.60 1a99 n SER 227 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1a99 h GLN 228 N 0.00 0.00 0.00 4.33 5.75 -2.00 -2.43 115.11 120.76 1a99 h GLN 228 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1a99 h GLN 228 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1a99 h GLN 228 CO 0.00 0.00 0.00 0.10 -2.65 0.00 0.00 178.83 176.28 1a99 h TYR 229 N 0.00 0.00 0.48 3.99 -0.00 -1.91 -2.98 116.97 116.55 1a99 h TYR 229 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.88 1a99 h TYR 229 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.51 1a99 h TYR 229 CO 0.00 0.00 -0.23 0.82 -0.00 0.00 0.00 178.16 178.75 1a99 h ILE 230 N 0.00 0.45 -0.49 -0.90 2.04 -1.77 0.08 117.51 116.93 1a99 h ILE 230 Ca 0.00 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1a99 h ILE 230 Cb 0.26 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1a99 h ILE 230 CO 0.00 0.06 0.09 0.78 0.00 0.00 0.00 178.15 179.07 1a99 h ASN 231 N -0.89 0.70 -0.51 1.72 2.35 -1.76 -0.84 115.58 116.35 1a99 h ASN 231 Ca -0.07 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.45 1a99 h ASN 231 Cb 0.59 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1a99 h ASN 231 CO 0.11 0.72 -0.08 0.44 -1.65 0.00 0.00 177.43 176.97 1a99 h ASP 232 N 0.72 0.97 -0.42 5.81 3.32 -1.48 0.52 116.42 125.86 1a99 h ASP 232 Ca 0.16 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1a99 h ASP 232 Cb 0.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1a99 h ASP 232 CO 0.00 1.07 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.32 1a99 h LEU 233 N 0.88 0.94 -0.64 1.55 3.38 -0.66 0.11 115.31 120.89 1a99 h LEU 233 Ca 0.15 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1a99 h LEU 233 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1a99 h LEU 233 CO 0.04 1.11 0.01 0.00 0.09 0.00 0.00 178.44 179.70 1a99 h ALA 234 N 0.95 0.85 -0.00 1.53 0.00 -0.76 -3.08 119.26 118.75 1a99 h ALA 234 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1a99 h ALA 234 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1a99 h ALA 234 CO 0.06 0.67 -0.18 0.09 0.00 0.00 0.00 179.25 179.89 1a99 n ASN 235 N -4.18 0.61 0.00 0.00 5.03 0.14 -4.60 115.26 112.26 1a99 n ASN 235 Ca 0.03 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.90 1a99 n ASN 235 Cb 0.34 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1a99 n ASN 235 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a99 n GLY 236 N 1.33 0.64 0.13 7.41 0.00 -0.85 -4.97 105.19 108.88 1a99 n GLY 236 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1a99 n GLY 236 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a99 h ASP 237 N 0.00 0.00 -4.25 1.61 3.32 -1.07 -3.44 116.42 112.58 1a99 h ASP 237 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1a99 h ASP 237 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1a99 h ASP 237 CO 0.00 0.62 -0.78 0.27 -1.72 0.00 0.00 179.24 177.63 1a99 s ILE 238 N -3.11 1.32 -0.29 0.35 -4.36 -1.13 -4.55 121.20 109.43 1a99 s ILE 238 Ca 0.02 -1.51 0.16 0.00 -0.26 0.00 0.00 60.65 59.06 1a99 s ILE 238 Cb 0.09 -1.34 -0.22 0.00 1.25 0.00 0.00 42.46 42.24 1a99 s ILE 238 CO 0.75 -0.26 0.47 0.00 0.24 0.00 0.00 174.94 176.14 1a99 s VAL 240 N -2.89 0.07 -0.08 0.00 1.01 -1.02 -0.71 120.40 116.79 1a99 s VAL 240 Ca -0.02 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1a99 s VAL 240 Cb 0.11 -0.51 0.07 0.00 0.00 0.00 0.00 36.38 36.05 1a99 s VAL 240 CO 0.66 -0.32 0.67 0.00 0.00 0.00 0.00 175.10 176.11 1a99 s ALA 241 N -1.32 -1.73 -0.24 5.51 0.00 0.19 -2.17 121.76 121.99 1a99 s ALA 241 Ca -0.14 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1a99 s ALA 241 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1a99 s ALA 241 CO 0.03 -0.36 0.49 0.42 0.00 0.00 0.00 175.76 176.34 1a99 s ILE 242 N -0.99 5.10 0.27 0.00 1.01 -0.85 -0.67 121.20 125.07 1a99 s ILE 242 Ca -0.10 0.85 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 1a99 s ILE 242 Cb -0.01 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1a99 s ILE 242 CO 0.09 0.13 0.48 -0.83 0.00 0.00 0.00 174.94 174.80 1a99 s GLY 243 N 1.43 0.75 -0.06 6.18 0.00 0.08 -3.59 107.32 112.11 1a99 s GLY 243 Ca 0.21 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.64 1a99 s GLY 243 CO 0.09 -0.72 0.80 -0.98 0.00 0.00 0.00 173.10 172.30 1a99 s TRP 244 N -3.73 3.58 0.09 1.90 0.51 -1.26 -0.70 118.94 119.32 1a99 s TRP 244 Ca 0.24 1.39 -0.17 0.00 -2.12 0.00 0.00 56.10 55.44 1a99 s TRP 244 Cb -0.01 -2.92 -0.04 0.00 -0.81 0.00 0.00 33.47 29.69 1a99 s TRP 244 CO 0.12 0.02 1.16 0.00 -0.51 0.00 0.00 176.95 177.74 1a99 n ALA 245 N 3.99 -0.36 -0.32 0.98 0.00 -0.61 -1.27 120.51 122.93 1a99 n ALA 245 Ca 0.02 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1a99 n ALA 245 Cb 0.51 0.07 0.29 0.00 0.00 0.00 0.00 19.45 20.32 1a99 n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1a99 h GLY 246 N 0.00 1.43 1.00 0.00 0.00 -1.86 -1.08 103.07 102.56 1a99 h GLY 246 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1a99 h GLY 246 CO -0.52 0.17 0.61 -0.55 0.00 0.00 0.00 176.54 176.24 1a99 h ASP 247 N 0.90 1.04 -0.34 0.19 5.19 -1.43 0.95 116.42 122.93 1a99 h ASP 247 Ca 0.46 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.68 1a99 h ASP 247 Cb 0.50 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1a99 h ASP 247 CO -0.22 0.75 -0.41 0.58 -3.12 0.00 0.00 179.24 176.82 1a99 h VAL 248 N 1.23 1.28 -0.78 -1.35 2.07 -0.83 -1.85 116.25 116.02 1a99 h VAL 248 Ca 0.34 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1a99 h VAL 248 Cb -0.13 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1a99 h VAL 248 CO -0.08 0.52 0.30 -0.50 0.02 0.00 0.00 177.57 177.84 1a99 h TRP 249 N 0.67 1.20 -0.83 1.57 -0.00 -0.83 0.17 115.95 117.89 1a99 h TRP 249 Ca 0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.89 58.82 1a99 h TRP 249 Cb 1.01 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.77 1a99 h TRP 249 CO 0.07 0.91 0.43 1.96 -0.00 0.00 0.00 178.44 181.81 1a99 h GLN 250 N 1.14 1.16 -0.43 0.49 4.20 -0.65 0.99 115.11 122.03 1a99 h GLN 250 Ca 0.26 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1a99 h GLN 250 Cb 0.23 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1a99 h GLN 250 CO -0.02 0.87 0.05 0.00 -0.67 0.00 0.00 178.83 179.05 1a99 h ALA 251 N 1.31 0.57 -0.50 3.87 0.00 -0.39 0.69 119.26 124.80 1a99 h ALA 251 Ca 0.29 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a99 h ALA 251 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1a99 h ALA 251 CO -0.04 0.31 0.25 1.03 0.00 0.00 0.00 179.25 180.80 1a99 h SER 252 N 0.57 0.37 -0.55 0.00 0.87 -0.15 -1.68 113.55 112.98 1a99 h SER 252 Ca 0.13 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1a99 h SER 252 Cb 0.42 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1a99 h SER 252 CO 0.01 0.25 0.11 -1.13 -0.53 0.00 0.00 176.83 175.55 1a99 h ASN 253 N 0.50 0.85 -0.14 6.23 -0.73 -0.47 -1.89 115.58 119.92 1a99 h ASN 253 Ca 0.22 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1a99 h ASN 253 Cb 0.13 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1a99 h ASN 253 CO -0.15 0.88 0.07 0.03 -0.37 0.00 0.00 177.43 177.90 1a99 h ARG 254 N 0.79 0.24 -0.30 6.67 3.08 -0.45 0.20 114.38 124.62 1a99 h ARG 254 Ca 0.17 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 1a99 h ARG 254 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1a99 h ARG 254 CO 0.01 0.20 -0.34 0.00 -1.07 0.00 0.00 179.97 178.77 1a99 h ALA 255 N 1.84 0.45 -0.09 0.04 0.00 -0.92 -1.85 119.26 118.73 1a99 h ALA 255 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1a99 h ALA 255 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1a99 h ALA 255 CO -0.01 0.50 0.03 0.87 0.00 0.00 0.00 179.25 180.64 1a99 h LYS 256 N 0.51 0.14 -0.75 0.00 1.57 -0.52 -1.28 116.57 116.25 1a99 h LYS 256 Ca 0.04 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1a99 h LYS 256 Cb 0.92 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1a99 h LYS 256 CO 0.08 0.30 0.49 0.93 -0.57 0.00 0.00 179.45 180.68 1a99 h GLU 257 N -0.05 0.85 0.00 3.15 5.08 -0.98 -0.78 114.58 121.86 1a99 h GLU 257 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a99 h GLU 257 Cb 0.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a99 h GLU 257 CO -0.00 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1a99 h ALA 258 N 1.57 1.00 -6.23 3.43 0.00 -1.06 -3.47 119.26 114.50 1a99 h ALA 258 Ca 0.30 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.76 1a99 h ALA 258 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a99 h ALA 258 CO -0.09 0.00 -0.78 1.63 0.00 0.00 0.00 179.25 180.00 1a99 n LYS 259 N -2.45 -5.32 -0.01 0.00 5.02 -0.30 -4.87 118.16 110.24 1a99 n LYS 259 Ca 0.05 0.60 0.13 0.00 -2.02 0.00 0.00 58.31 57.07 1a99 n LYS 259 Cb 0.42 -5.37 0.40 0.00 -0.02 0.00 0.00 35.03 30.45 1a99 n LYS 259 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1a99 n ASN 260 N -2.92 1.96 0.00 4.39 0.23 -1.21 -4.94 115.26 112.76 1a99 n ASN 260 Ca -0.08 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 1a99 n ASN 260 Cb 0.58 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1a99 n ASN 260 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a99 n GLY 261 N 1.23 1.71 3.70 4.83 0.00 -1.26 -5.02 105.19 110.38 1a99 n GLY 261 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1a99 n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 262 N -2.90 4.38 -0.64 1.61 1.01 -1.26 -5.01 120.40 117.59 1a99 s VAL 262 Ca 0.00 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1a99 s VAL 262 Cb 0.00 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.45 1a99 s VAL 262 CO 0.00 0.09 0.51 0.21 0.00 0.00 0.00 175.10 175.91 1a99 s ASN 263 N 1.15 5.90 -0.13 3.32 3.84 -1.26 -4.65 114.94 123.11 1a99 s ASN 263 Ca 0.55 -2.46 -0.06 0.00 0.21 0.00 0.00 52.86 51.09 1a99 s ASN 263 Cb -0.25 -2.03 -0.04 0.00 -0.55 0.00 0.00 41.25 38.38 1a99 s ASN 263 CO 0.26 -0.56 0.11 -0.69 -2.79 0.00 0.00 177.10 173.43 1a99 s VAL 264 N 0.53 5.22 0.28 -5.21 1.01 -1.26 -0.41 120.40 120.55 1a99 s VAL 264 Ca 0.13 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1a99 s VAL 264 Cb -0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1a99 s VAL 264 CO -0.04 0.58 0.14 -0.55 0.00 0.00 0.00 175.10 175.23 1a99 s SER 265 N -0.70 1.25 0.05 3.32 0.15 -0.30 -4.66 113.70 112.81 1a99 s SER 265 Ca 0.13 -1.49 0.03 0.00 0.70 0.00 0.00 55.95 55.32 1a99 s SER 265 Cb -0.12 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1a99 s SER 265 CO 0.03 -0.84 -0.10 0.12 1.20 0.00 0.00 173.24 173.64 1a99 s PHE 266 N -3.72 0.87 -0.01 3.44 5.36 -1.26 -1.06 117.98 121.60 1a99 s PHE 266 Ca 0.37 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1a99 s PHE 266 Cb 0.06 -0.50 0.01 0.00 -0.34 0.00 0.00 43.02 42.25 1a99 s PHE 266 CO 0.16 -0.04 0.01 0.45 -1.46 0.00 0.00 175.22 174.34 1a99 s SER 267 N -1.69 0.06 -0.52 6.13 0.15 0.26 -4.99 113.70 113.09 1a99 s SER 267 Ca -0.06 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1a99 s SER 267 Cb -0.09 -0.04 0.13 0.00 -1.71 0.00 0.00 66.02 64.31 1a99 s SER 267 CO 0.01 -0.05 0.43 -0.63 1.20 0.00 0.00 173.24 174.19 1a99 s ILE 268 N 0.45 4.61 0.54 6.45 1.01 -1.26 -1.66 121.20 131.34 1a99 s ILE 268 Ca -0.04 -1.78 -0.20 0.00 0.00 0.00 0.00 60.65 58.63 1a99 s ILE 268 Cb -0.06 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1a99 s ILE 268 CO -0.01 -0.83 0.75 -2.65 0.00 0.00 0.00 174.94 172.20 1a99 n PRO 269 N 4.91 0.78 0.25 2.79 -0.02 -1.26 -4.88 135.00 137.57 1a99 n PRO 269 Ca -0.08 0.30 0.17 0.00 -2.02 0.00 0.00 63.50 61.87 1a99 n PRO 269 Cb 0.41 -1.89 0.84 0.00 -0.02 0.00 0.00 33.50 32.84 1a99 n PRO 269 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1a99 h LYS 270 N 0.59 0.00 0.00 -0.52 2.10 -1.19 -1.58 116.57 115.97 1a99 h LYS 270 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1a99 h LYS 270 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1a99 h LYS 270 CO 0.50 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.34 1a99 n GLU 271 N -2.74 0.25 0.00 0.07 4.71 -1.26 -5.00 120.64 116.66 1a99 n GLU 271 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1a99 n GLU 271 Cb 0.13 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1a99 n GLU 271 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a99 n GLY 272 N 1.31 2.04 3.44 0.62 0.00 -0.60 -4.94 105.19 107.07 1a99 n GLY 272 Ca 0.11 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1a99 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a99 s ALA 273 N -2.07 -1.23 0.15 4.61 0.00 -1.20 -4.50 121.76 117.51 1a99 s ALA 273 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.82 1a99 s ALA 273 Cb 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.87 1a99 s ALA 273 CO 0.00 -0.76 0.80 1.41 0.00 0.00 0.00 175.76 177.21 1a99 s MET 274 N -3.80 4.59 -0.09 0.00 1.75 -1.26 -1.28 119.30 119.21 1a99 s MET 274 Ca 0.04 1.19 0.01 0.00 -1.25 0.00 0.00 55.69 55.67 1a99 s MET 274 Cb -0.00 -3.29 -0.02 0.00 2.84 0.00 0.00 34.83 34.35 1a99 s MET 274 CO -0.09 0.50 -0.10 0.00 -0.65 0.00 0.00 175.02 174.68 1a99 s ALA 275 N -0.91 2.81 0.24 4.11 0.00 0.81 -1.05 121.76 127.78 1a99 s ALA 275 Ca 0.37 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.54 1a99 s ALA 275 Cb -0.23 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1a99 s ALA 275 CO 0.26 0.43 -0.20 -0.59 0.00 0.00 0.00 175.76 175.67 1a99 s PHE 276 N -0.32 2.18 -0.24 0.00 -0.71 -0.26 -4.54 117.98 114.09 1a99 s PHE 276 Ca 0.04 -0.38 -0.02 0.00 -1.04 0.00 0.00 56.93 55.53 1a99 s PHE 276 Cb -0.13 -0.98 0.08 0.00 -1.21 0.00 0.00 43.02 40.78 1a99 s PHE 276 CO 0.02 0.60 0.06 -0.06 -1.34 0.00 0.00 175.22 174.50 1a99 s PHE 277 N -2.38 1.29 0.25 3.49 0.08 -1.26 -2.57 117.98 116.87 1a99 s PHE 277 Ca 0.26 -1.21 -0.23 0.00 0.12 0.00 0.00 56.93 55.88 1a99 s PHE 277 Cb -0.05 -1.28 -0.09 0.00 -0.57 0.00 0.00 43.02 41.04 1a99 s PHE 277 CO 0.12 -0.72 0.81 -0.51 -0.10 0.00 0.00 175.22 174.82 1a99 s ASP 278 N 1.77 7.21 0.06 1.36 1.01 -0.30 -0.58 116.67 127.20 1a99 s ASP 278 Ca 0.03 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.90 1a99 s ASP 278 Cb -0.17 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1a99 s ASP 278 CO -0.16 0.02 -0.05 0.68 0.21 0.00 0.00 175.17 175.87 1a99 s VAL 279 N -1.50 0.46 -0.05 -1.27 -7.23 -0.53 -1.48 120.40 108.80 1a99 s VAL 279 Ca 0.45 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 1a99 s VAL 279 Cb -0.18 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1a99 s VAL 279 CO 0.23 -0.78 0.32 -0.36 -0.31 0.00 0.00 175.10 174.20 1a99 s PHE 280 N -3.04 3.67 0.10 2.82 0.40 -0.36 -3.05 117.98 118.52 1a99 s PHE 280 Ca 0.03 0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 57.12 1a99 s PHE 280 Cb 0.01 -2.19 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 1a99 s PHE 280 CO -0.05 0.64 0.18 0.00 0.70 0.00 0.00 175.22 176.69 1a99 s ALA 281 N -0.95 -0.06 -0.21 5.36 0.00 -0.34 -1.52 121.76 124.04 1a99 s ALA 281 Ca 0.21 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1a99 s ALA 281 Cb -0.15 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1a99 s ALA 281 CO 0.10 -0.52 -0.17 1.41 0.00 0.00 0.00 175.76 176.59 1a99 s MET 282 N -3.89 2.75 0.25 0.00 1.75 -1.26 -2.01 119.30 116.88 1a99 s MET 282 Ca 0.08 -1.00 -0.30 0.00 -1.25 0.00 0.00 55.69 53.22 1a99 s MET 282 Cb 0.05 -2.68 -0.14 0.00 2.84 0.00 0.00 34.83 34.90 1a99 s MET 282 CO -0.08 -0.33 1.23 -2.30 -0.65 0.00 0.00 175.02 172.89 1a99 n PRO 283 N 4.56 1.66 0.29 4.11 -0.02 -1.26 -1.44 135.00 142.91 1a99 n PRO 283 Ca -0.19 0.59 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 1a99 n PRO 283 Cb 0.47 -2.13 1.00 0.00 -0.02 0.00 0.00 33.50 32.83 1a99 n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a99 h ALA 284 N 3.23 1.04 -0.30 3.55 0.00 -1.36 -0.48 119.26 124.95 1a99 h ALA 284 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a99 h ALA 284 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1a99 h ALA 284 CO 0.69 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1a99 n ASP 285 N -2.83 4.10 -4.76 0.00 5.75 -1.26 -4.86 116.55 112.69 1a99 n ASP 285 Ca -0.02 -3.00 -0.41 0.00 -0.01 0.00 0.00 54.79 51.34 1a99 n ASP 285 Cb 0.10 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 1a99 n ASP 285 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a99 n ALA 286 N -0.36 2.47 -0.06 2.12 0.00 -0.19 -4.95 120.51 119.54 1a99 n ALA 286 Ca 0.22 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.80 1a99 n ALA 286 Cb 0.93 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 1a99 n ALA 286 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1a99 h LYS 287 N 3.70 0.09 -3.08 0.00 -0.00 -1.90 -3.41 116.57 111.97 1a99 h LYS 287 Ca -0.49 -0.15 -0.78 0.00 -0.00 0.00 0.00 60.65 59.23 1a99 h LYS 287 Cb 1.23 0.06 -0.20 0.00 -0.00 0.00 0.00 32.23 33.32 1a99 h LYS 287 CO 0.70 1.07 1.55 0.09 -0.00 0.00 0.00 179.45 182.87 1a99 n ASN 288 N -4.19 6.11 -0.29 7.07 3.02 -1.26 -4.80 115.26 120.92 1a99 n ASN 288 Ca -0.29 -3.27 -0.04 0.00 -0.03 0.00 0.00 54.58 50.95 1a99 n ASN 288 Cb 0.77 -1.36 0.08 0.00 -0.61 0.00 0.00 39.78 38.65 1a99 n ASN 288 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 289 N 5.36 1.02 -0.19 3.52 1.57 -1.96 -1.92 116.57 123.97 1a99 h LYS 289 Ca 0.37 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1a99 h LYS 289 Cb 0.56 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1a99 h LYS 289 CO 1.47 0.67 -0.02 -0.44 -0.57 0.00 0.00 179.45 180.57 1a99 h ASP 290 N 1.05 0.34 -0.11 0.86 3.32 -1.99 -0.77 116.42 119.12 1a99 h ASP 290 Ca 0.30 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1a99 h ASP 290 Cb -0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1a99 h ASP 290 CO -0.07 0.59 0.05 -0.33 -1.72 0.00 0.00 179.24 177.76 1a99 h GLU 291 N 0.08 0.21 -0.11 3.56 3.07 -1.89 -2.06 114.58 117.44 1a99 h GLU 291 Ca 0.05 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1a99 h GLU 291 Cb 0.43 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1a99 h GLU 291 CO 0.01 0.19 -0.02 0.00 -1.40 0.00 0.00 179.01 177.80 1a99 h ALA 292 N 1.84 0.15 -0.36 3.43 0.00 -0.91 -2.17 119.26 121.25 1a99 h ALA 292 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1a99 h ALA 292 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a99 h ALA 292 CO -0.00 -0.13 0.24 1.88 0.00 0.00 0.00 179.25 181.24 1a99 h TYR 293 N -0.10 0.38 -0.36 0.00 0.05 -0.66 -0.90 116.97 115.39 1a99 h TYR 293 Ca 0.03 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 1a99 h TYR 293 Cb 0.41 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1a99 h TYR 293 CO 0.05 0.23 -0.12 1.96 -1.05 0.00 0.00 178.16 179.22 1a99 h GLN 294 N 0.41 0.73 -0.76 4.88 4.20 -1.17 -1.52 115.11 121.87 1a99 h GLN 294 Ca 0.14 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1a99 h GLN 294 Cb 0.07 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1a99 h GLN 294 CO -0.03 0.90 0.31 0.35 -0.67 0.00 0.00 178.83 179.68 1a99 h PHE 295 N 0.52 1.14 -0.62 2.96 3.57 -0.63 0.48 116.94 124.36 1a99 h PHE 295 Ca 0.09 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1a99 h PHE 295 Cb 0.65 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1a99 h PHE 295 CO 0.05 0.87 0.23 -0.07 -2.23 0.00 0.00 178.31 177.16 1a99 h LEU 296 N 1.09 0.88 -0.88 0.59 3.38 -1.07 -0.98 115.31 118.31 1a99 h LEU 296 Ca 0.25 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1a99 h LEU 296 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1a99 h LEU 296 CO -0.02 0.83 -0.09 0.78 0.09 0.00 0.00 178.44 180.03 1a99 h ASN 297 N 0.88 0.71 -0.91 -0.43 2.35 -0.97 -1.59 115.58 115.61 1a99 h ASN 297 Ca 0.20 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1a99 h ASN 297 Cb 0.24 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1a99 h ASN 297 CO -0.01 0.84 0.60 0.22 -1.65 0.00 0.00 177.43 177.43 1a99 h TYR 298 N 0.66 1.16 0.00 1.19 3.20 -0.36 -2.04 116.97 120.79 1a99 h TYR 298 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1a99 h TYR 298 Cb 0.54 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1a99 h TYR 298 CO 0.03 0.73 0.00 -0.07 -1.64 0.00 0.00 178.16 177.21 1a99 h LEU 299 N 1.24 0.00 -0.09 2.82 3.38 -0.59 -2.88 115.31 119.19 1a99 h LEU 299 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1a99 h LEU 299 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1a99 h LEU 299 CO -0.07 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.64 1a99 n LEU 300 N -2.89 0.51 -4.67 1.67 4.77 -0.66 -4.30 117.00 111.44 1a99 n LEU 300 Ca 0.02 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.14 1a99 n LEU 300 Cb 0.38 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1a99 n LEU 300 CO 0.28 -0.18 1.09 -0.13 -1.33 0.00 0.00 177.39 177.12 1a99 s ARG 301 N -3.09 4.26 0.33 3.23 0.52 -1.09 -4.91 118.95 118.20 1a99 s ARG 301 Ca 0.11 1.78 0.13 0.00 -0.52 0.00 0.00 55.73 57.22 1a99 s ARG 301 Cb 0.14 -3.71 1.03 0.00 0.52 0.00 0.00 34.95 32.93 1a99 s ARG 301 CO 0.53 -0.64 1.67 -1.35 0.02 0.00 0.00 175.30 175.53 1a99 h PRO 302 N 8.11 0.34 0.00 3.54 0.11 -1.90 -0.56 132.00 141.64 1a99 h PRO 302 Ca -0.32 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 1a99 h PRO 302 Cb 1.14 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1a99 h PRO 302 CO 0.93 0.22 -0.59 0.38 -0.21 0.00 0.00 178.00 178.73 1a99 h ASP 303 N 0.35 0.00 0.29 -2.05 2.03 -1.93 -2.32 116.42 112.79 1a99 h ASP 303 Ca 0.71 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.99 1a99 h ASP 303 Cb 1.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1a99 h ASP 303 CO -0.59 0.59 -0.14 0.58 -1.03 0.00 0.00 179.24 178.65 1a99 h VAL 304 N 0.00 0.71 -0.15 4.15 2.07 -1.38 -2.11 116.25 119.54 1a99 h VAL 304 Ca -0.01 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1a99 h VAL 304 Cb 1.26 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1a99 h VAL 304 CO 0.08 0.12 -0.34 -0.37 0.02 0.00 0.00 177.57 177.08 1a99 h VAL 305 N -0.75 1.28 -0.15 2.57 -1.51 -1.60 -2.13 116.25 113.96 1a99 h VAL 305 Ca -0.04 -1.38 -0.06 0.00 -1.23 0.00 0.00 66.70 63.99 1a99 h VAL 305 Cb 0.50 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1a99 h VAL 305 CO 0.07 0.42 -0.18 0.00 -1.23 0.00 0.00 177.57 176.65 1a99 h ALA 306 N 1.37 1.43 -0.49 5.19 0.00 -1.46 -0.73 119.26 124.57 1a99 h ALA 306 Ca 0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1a99 h ALA 306 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a99 h ALA 306 CO 0.06 0.40 -0.16 1.25 0.00 0.00 0.00 179.25 180.79 1a99 h HIS 307 N 0.23 1.11 0.24 0.00 6.17 -0.75 -1.97 115.15 120.18 1a99 h HIS 307 Ca 0.04 -0.25 -0.01 0.00 0.71 0.00 0.00 60.37 60.86 1a99 h HIS 307 Cb 0.46 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1a99 h HIS 307 CO 0.01 1.07 -0.12 0.82 0.71 0.00 0.00 177.93 180.42 1a99 h ILE 308 N 0.84 0.82 -0.92 6.26 2.04 -0.84 -2.79 117.51 122.92 1a99 h ILE 308 Ca 0.12 -0.41 0.23 0.00 1.00 0.00 0.00 64.86 65.79 1a99 h ILE 308 Cb 0.73 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1a99 h ILE 308 CO 0.06 0.09 0.62 0.28 0.00 0.00 0.00 178.15 179.20 1a99 h SER 309 N -0.54 0.30 -0.03 1.72 0.02 -1.09 0.13 113.55 114.07 1a99 h SER 309 Ca -0.03 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1a99 h SER 309 Cb 0.40 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1a99 h SER 309 CO 0.05 0.11 -0.16 0.44 -1.14 0.00 0.00 176.83 176.13 1a99 h ASP 310 N 0.29 0.35 0.22 3.07 3.32 -1.08 -1.11 116.42 121.48 1a99 h ASP 310 Ca 0.47 -0.09 -0.34 0.00 0.02 0.00 0.00 57.03 57.10 1a99 h ASP 310 Cb 1.36 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 1a99 h ASP 310 CO -0.15 0.54 -2.07 1.41 -1.72 0.00 0.00 179.24 177.25 1a99 n HIS 311 N -4.21 0.56 0.50 4.55 8.25 0.26 -4.50 115.22 120.63 1a99 n HIS 311 Ca -0.00 0.18 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1a99 n HIS 311 Cb 0.32 -1.10 0.02 0.00 1.12 0.00 0.00 29.99 30.35 1a99 n HIS 311 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a99 n VAL 312 N -3.01 0.21 -2.40 1.59 0.31 -0.14 -4.95 118.33 109.95 1a99 n VAL 312 Ca -0.27 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 63.57 1a99 n VAL 312 Cb 1.09 0.13 -0.01 0.00 -0.91 0.00 0.00 33.84 34.14 1a99 n VAL 312 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1a99 n PHE 313 N -2.05 -0.97 -4.41 3.52 3.01 -0.42 -4.59 117.46 111.55 1a99 n PHE 313 Ca 0.01 0.02 -0.31 0.00 1.01 0.00 0.00 57.45 58.19 1a99 n PHE 313 Cb 0.45 -3.84 -0.11 0.00 -0.01 0.00 0.00 39.48 35.97 1a99 n PHE 313 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1a99 s TYR 314 N -2.99 2.71 0.18 1.38 2.02 -1.25 -4.17 117.35 115.22 1a99 s TYR 314 Ca 0.01 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 1a99 s TYR 314 Cb -0.00 -1.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 1a99 s TYR 314 CO 0.01 0.36 1.06 0.00 -1.57 0.00 0.00 175.55 175.41 1a99 s ALA 315 N -1.08 3.35 0.49 3.71 0.00 -1.23 -4.53 121.76 122.46 1a99 s ALA 315 Ca 0.18 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1a99 s ALA 315 Cb -0.11 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1a99 s ALA 315 CO 0.10 -0.13 0.67 0.54 0.00 0.00 0.00 175.76 176.94 1a99 s ASN 316 N -0.27 5.42 0.00 0.00 4.22 -1.26 -1.79 114.94 121.26 1a99 s ASN 316 Ca 0.48 -0.43 0.19 0.00 -2.14 0.00 0.00 52.86 50.96 1a99 s ASN 316 Cb -0.28 -0.48 0.54 0.00 1.28 0.00 0.00 41.25 42.30 1a99 s ASN 316 CO 0.34 -0.99 1.43 0.00 -2.04 0.00 0.00 177.10 175.84 1a99 n ALA 317 N -2.06 2.45 -2.63 3.54 0.00 -0.71 -4.85 120.51 116.26 1a99 n ALA 317 Ca 0.10 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1a99 n ALA 317 Cb 0.60 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1a99 n ALA 317 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a99 s ASN 318 N -1.30 6.38 0.39 0.00 3.84 -1.26 -0.04 114.94 122.95 1a99 s ASN 318 Ca 0.34 -0.24 0.08 0.00 0.21 0.00 0.00 52.86 53.26 1a99 s ASN 318 Cb 0.19 -2.43 0.80 0.00 -0.55 0.00 0.00 41.25 39.26 1a99 s ASN 318 CO 0.26 -1.16 1.98 0.50 -2.79 0.00 0.00 177.10 175.88 1a99 h LYS 319 N 9.24 0.40 -0.01 0.43 3.64 -0.81 -2.55 116.57 126.91 1a99 h LYS 319 Ca -0.26 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 1a99 h LYS 319 Cb 1.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1a99 h LYS 319 CO 1.06 0.38 -0.66 0.00 -2.27 0.00 0.00 179.45 177.96 1a99 h ALA 320 N 1.67 0.89 0.00 5.00 0.00 -1.88 -3.21 119.26 121.73 1a99 h ALA 320 Ca 0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1a99 h ALA 320 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a99 h ALA 320 CO -0.00 0.82 -0.03 0.00 0.00 0.00 0.00 179.25 180.04 1a99 h ALA 321 N 1.31 0.99 -0.75 0.00 0.00 -1.71 -3.36 119.26 115.75 1a99 h ALA 321 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a99 h ALA 321 Cb 1.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1a99 h ALA 321 CO 0.09 0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.83 1a99 h THR 322 N 0.00 1.20 0.00 0.00 1.03 -1.55 -1.50 112.91 112.09 1a99 h THR 322 Ca -0.00 -0.42 -0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1a99 h THR 322 Cb 0.72 0.14 -0.00 0.00 -1.07 0.00 0.00 68.15 67.93 1a99 h THR 322 CO 0.00 0.21 -0.02 -0.65 -0.01 0.00 0.00 175.52 175.05 1a99 h PRO 323 N 1.02 0.00 -0.00 0.00 0.11 -1.83 -1.29 132.00 130.01 1a99 h PRO 323 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1a99 h PRO 323 Cb -0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1a99 h PRO 323 CO -0.05 0.02 -0.16 1.28 -0.21 0.00 0.00 178.00 178.88 1a99 n LEU 324 N -3.19 0.61 -4.76 2.35 4.32 -0.58 -4.85 117.00 110.90 1a99 n LEU 324 Ca -0.01 -0.05 -0.40 0.00 -0.02 0.00 0.00 56.01 55.53 1a99 n LEU 324 Cb 0.20 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 41.76 1a99 n LEU 324 CO 0.25 0.11 0.54 -0.69 -1.22 0.00 0.00 177.39 176.38 1a99 s VAL 325 N -2.52 4.39 0.54 4.08 1.01 -0.49 -4.86 120.40 122.56 1a99 s VAL 325 Ca 0.26 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 63.87 1a99 s VAL 325 Cb 0.20 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1a99 s VAL 325 CO 0.50 0.46 0.88 -1.54 0.00 0.00 0.00 175.10 175.40 1a99 n SER 326 N 1.97 0.51 0.07 3.32 3.41 -1.26 -4.64 113.62 117.00 1a99 n SER 326 Ca -0.03 0.85 0.02 0.00 -0.26 0.00 0.00 58.87 59.45 1a99 n SER 326 Cb 0.49 -1.33 0.37 0.00 -0.26 0.00 0.00 64.21 63.47 1a99 n SER 326 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a99 h ALA 327 N 0.73 1.49 -0.70 7.33 0.00 -1.94 -0.39 119.26 125.78 1a99 h ALA 327 Ca -0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1a99 h ALA 327 Cb 1.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1a99 h ALA 327 CO 0.52 0.36 0.39 1.05 0.00 0.00 0.00 179.25 181.57 1a99 h GLU 328 N 0.34 0.96 0.00 0.00 4.11 -1.95 0.17 114.58 118.21 1a99 h GLU 328 Ca 0.07 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1a99 h GLU 328 Cb 0.31 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1a99 h GLU 328 CO 0.01 0.70 -0.14 0.28 0.07 0.00 0.00 179.01 179.93 1a99 h VAL 329 N 0.97 0.40 -0.49 -1.06 2.07 -1.81 -3.26 116.25 113.07 1a99 h VAL 329 Ca 0.25 -1.32 0.14 0.00 0.82 0.00 0.00 66.70 66.59 1a99 h VAL 329 Cb 0.01 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1a99 h VAL 329 CO -0.04 0.13 0.37 -0.09 0.02 0.00 0.00 177.57 177.96 1a99 h ARG 330 N -1.00 0.00 -0.63 1.57 2.43 -1.08 -1.53 114.38 114.14 1a99 h ARG 330 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1a99 h ARG 330 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1a99 h ARG 330 CO -0.01 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.84 1a99 n GLU 331 N -4.28 3.11 -2.89 0.20 1.02 0.61 -4.71 120.64 113.69 1a99 n GLU 331 Ca 0.09 -2.66 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 1a99 n GLU 331 Cb 0.58 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1a99 n GLU 331 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1a99 s ASN 332 N -1.01 6.57 0.06 1.62 3.84 -0.57 -4.92 114.94 120.53 1a99 s ASN 332 Ca 0.46 0.35 0.09 0.00 0.21 0.00 0.00 52.86 53.96 1a99 s ASN 332 Cb 0.26 -2.43 0.40 0.00 -0.55 0.00 0.00 41.25 38.94 1a99 s ASN 332 CO 0.27 -0.84 1.27 -0.81 -2.79 0.00 0.00 177.10 174.20 1a99 n PRO 333 N 6.67 0.03 -0.01 0.43 -0.04 -1.26 -0.81 135.00 140.01 1a99 n PRO 333 Ca 0.05 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1a99 n PRO 333 Cb 0.48 -1.58 0.38 0.00 -0.04 0.00 0.00 33.50 32.74 1a99 n PRO 333 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a99 n GLY 334 N -0.93 0.37 0.68 0.55 0.00 -1.26 -2.92 105.19 101.68 1a99 n GLY 334 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1a99 n GLY 334 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a99 n ILE 335 N 0.56 0.00 -3.90 -0.61 5.41 0.01 -4.83 119.36 116.00 1a99 n ILE 335 Ca 0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.63 1a99 n ILE 335 Cb 0.43 -1.16 -0.13 0.00 -0.71 0.00 0.00 39.64 38.07 1a99 n ILE 335 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1a99 s TYR 336 N -1.99 3.29 0.42 1.39 1.51 -0.06 -4.27 117.35 117.63 1a99 s TYR 336 Ca 0.00 -3.21 -0.23 0.00 -1.01 0.00 0.00 57.07 52.61 1a99 s TYR 336 Cb 0.00 -2.68 -0.08 0.00 -0.11 0.00 0.00 41.96 39.08 1a99 s TYR 336 CO 0.00 -0.64 1.08 -1.25 -1.11 0.00 0.00 175.55 173.63 1a99 s PRO 337 N -0.86 4.02 0.95 -1.71 0.04 -1.15 -4.20 135.00 132.09 1a99 s PRO 337 Ca 0.21 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1a99 s PRO 337 Cb -0.14 -2.48 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1a99 s PRO 337 CO -0.09 -0.28 1.09 -1.25 0.04 0.00 0.00 177.00 176.51 1a99 s PRO 338 N -2.60 0.81 0.48 0.56 0.04 -1.26 -4.72 135.00 128.30 1a99 s PRO 338 Ca 0.60 1.01 0.16 0.00 0.04 0.00 0.00 61.00 62.82 1a99 s PRO 338 Cb -0.24 -1.74 1.16 0.00 0.04 0.00 0.00 34.50 33.72 1a99 s PRO 338 CO 0.29 -2.60 2.03 0.00 0.04 0.00 0.00 177.00 176.76 1a99 h ALA 339 N -1.82 2.10 0.00 8.56 0.00 -1.98 -1.15 119.26 124.97 1a99 h ALA 339 Ca -0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1a99 h ALA 339 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1a99 h ALA 339 CO 0.51 -0.20 -0.39 0.38 0.00 0.00 0.00 179.25 179.55 1a99 h ASP 340 N 0.23 0.00 0.46 0.00 2.03 -2.00 -2.30 116.42 114.84 1a99 h ASP 340 Ca 0.19 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.19 1a99 h ASP 340 Cb 0.47 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1a99 h ASP 340 CO -0.04 0.39 -1.56 0.58 -1.03 0.00 0.00 179.24 177.59 1a99 h VAL 341 N 0.00 1.11 0.00 4.15 2.07 -1.69 -3.24 116.25 118.65 1a99 h VAL 341 Ca -0.00 -2.78 -0.03 0.00 0.82 0.00 0.00 66.70 64.71 1a99 h VAL 341 Cb 1.04 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1a99 h VAL 341 CO 0.05 0.80 -0.12 0.03 0.02 0.00 0.00 177.57 178.34 1a99 h ARG 342 N 0.06 0.00 -0.03 1.57 3.08 -1.17 -2.30 114.38 115.59 1a99 h ARG 342 Ca -0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1a99 h ARG 342 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 1a99 h ARG 342 CO 0.15 0.12 -0.35 0.00 -1.07 0.00 0.00 179.97 178.82 1a99 h ALA 343 N 1.88 1.37 -0.33 0.04 0.00 -1.43 -2.94 119.26 117.84 1a99 h ALA 343 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a99 h ALA 343 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a99 h ALA 343 CO 0.02 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.36 1a99 n LYS 344 N -4.11 2.22 -4.02 0.00 5.02 -0.86 -4.93 118.16 111.46 1a99 n LYS 344 Ca -0.02 -1.39 -0.26 0.00 -2.02 0.00 0.00 58.31 54.63 1a99 n LYS 344 Cb 0.40 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1a99 n LYS 344 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a99 s LEU 345 N -1.12 4.04 0.17 -0.35 1.43 -1.11 -3.23 118.68 118.51 1a99 s LEU 345 Ca 0.25 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1a99 s LEU 345 Cb 0.15 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1a99 s LEU 345 CO 0.13 0.06 -0.03 0.72 0.23 0.00 0.00 176.35 177.46 1a99 s PHE 346 N -1.76 1.24 0.21 0.29 -0.12 -0.40 -4.93 117.98 112.51 1a99 s PHE 346 Ca 0.33 -0.93 0.10 0.00 -0.05 0.00 0.00 56.93 56.38 1a99 s PHE 346 Cb -0.10 -0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 41.55 1a99 s PHE 346 CO 0.26 -0.10 -0.20 0.95 -0.05 0.00 0.00 175.22 176.07 1a99 s THR 347 N -3.53 2.15 0.44 -4.49 -4.23 -1.26 -0.14 115.64 104.58 1a99 s THR 347 Ca 0.21 -2.14 -0.22 0.00 -1.18 0.00 0.00 61.69 58.36 1a99 s THR 347 Cb 0.05 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.72 1a99 s THR 347 CO 0.03 -0.33 1.05 -0.76 -0.54 0.00 0.00 174.62 174.07 1a99 s LEU 348 N -3.01 4.02 0.22 4.79 1.43 -1.26 -4.92 118.68 119.94 1a99 s LEU 348 Ca 0.22 2.01 0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1a99 s LEU 348 Cb -0.05 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 1a99 s LEU 348 CO 0.10 -0.63 -0.19 -0.54 0.23 0.00 0.00 176.35 175.32 1a99 s LYS 349 N -2.80 1.69 0.18 1.70 1.02 -1.26 -4.82 119.74 115.45 1a99 s LYS 349 Ca 0.62 -1.54 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1a99 s LYS 349 Cb -0.20 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.14 1a99 s LYS 349 CO 0.25 0.39 1.04 0.08 -0.92 0.00 0.00 175.35 176.19 1a99 s VAL 350 N -1.91 4.02 0.17 3.17 1.01 -1.26 -5.04 120.40 120.55 1a99 s VAL 350 Ca 0.24 1.78 0.04 0.00 0.00 0.00 0.00 61.98 64.04 1a99 s VAL 350 Cb -0.07 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1a99 s VAL 350 CO 0.12 0.32 0.25 -1.10 0.00 0.00 0.00 175.10 174.70 1a99 s GLN 351 N -0.48 3.26 0.83 2.72 -1.52 -1.26 -5.12 119.66 118.10 1a99 s GLN 351 Ca 0.47 -0.72 -0.11 0.00 -1.95 0.00 0.00 55.36 53.05 1a99 s GLN 351 Cb -0.28 -2.84 0.09 0.00 -0.22 0.00 0.00 33.01 29.76 1a99 s GLN 351 CO 0.34 0.49 1.09 0.16 -0.25 0.00 0.00 175.29 177.12 1a99 s ASP 352 N -3.33 4.00 0.51 5.90 1.47 -1.26 -4.77 116.67 119.19 1a99 s ASP 352 Ca 0.33 1.67 0.28 0.00 1.18 0.00 0.00 52.55 56.02 1a99 s ASP 352 Cb -0.10 -2.36 1.39 0.00 -0.34 0.00 0.00 42.92 41.51 1a99 s ASP 352 CO 0.27 -2.33 1.89 -0.65 0.68 0.00 0.00 175.17 175.03 1a99 h PRO 353 N -1.34 0.08 0.41 2.11 0.11 -1.99 -1.79 132.00 129.60 1a99 h PRO 353 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1a99 h PRO 353 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a99 h PRO 353 CO 0.53 0.06 -0.20 -0.22 -0.21 0.00 0.00 178.00 177.95 1a99 h LYS 354 N 0.09 -0.53 -0.66 1.05 3.64 -1.99 -1.30 116.57 116.86 1a99 h LYS 354 Ca 0.41 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.92 1a99 h LYS 354 Cb 1.51 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.41 1a99 h LYS 354 CO -0.04 -0.23 0.44 0.82 -2.27 0.00 0.00 179.45 178.16 1a99 h ILE 355 N -1.00 0.92 0.86 2.00 1.08 -1.86 0.18 117.51 119.68 1a99 h ILE 355 Ca -0.06 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1a99 h ILE 355 Cb 0.54 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1a99 h ILE 355 CO 0.09 0.10 -0.45 -0.78 -0.69 0.00 0.00 178.15 176.42 1a99 h ASP 356 N 0.53 -1.09 -0.42 1.72 3.58 -1.25 -0.24 116.42 119.25 1a99 h ASP 356 Ca 0.30 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.86 1a99 h ASP 356 Cb 0.49 0.29 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 1a99 h ASP 356 CO -0.10 -0.74 0.10 -0.09 -2.88 0.00 0.00 179.24 175.54 1a99 h ARG 357 N -1.20 0.23 0.00 0.28 2.43 -0.55 -0.82 114.38 114.75 1a99 h ARG 357 Ca -0.12 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1a99 h ARG 357 Cb 0.93 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1a99 h ARG 357 CO 0.17 0.15 -0.09 0.28 -1.51 0.00 0.00 179.97 178.97 1a99 h VAL 358 N 0.24 0.78 -0.56 0.20 2.07 -0.94 -0.95 116.25 117.08 1a99 h VAL 358 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1a99 h VAL 358 Cb 0.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1a99 h VAL 358 CO -0.26 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 177.55 1a99 h ARG 359 N -0.15 0.79 -0.34 1.57 2.43 -0.76 -0.03 114.38 117.88 1a99 h ARG 359 Ca 0.03 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1a99 h ARG 359 Cb 0.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1a99 h ARG 359 CO -0.09 0.61 0.18 1.15 -1.51 0.00 0.00 179.97 180.31 1a99 h THR 360 N 0.76 1.15 0.06 0.20 2.02 -0.99 -0.08 112.91 116.03 1a99 h THR 360 Ca 0.20 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1a99 h THR 360 Cb 0.05 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a99 h THR 360 CO -0.03 0.15 -0.03 -0.09 0.37 0.00 0.00 175.52 175.89 1a99 h ARG 361 N 0.42 -0.08 -0.43 6.66 2.43 -1.00 -1.77 114.38 120.61 1a99 h ARG 361 Ca 0.12 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1a99 h ARG 361 Cb 0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1a99 h ARG 361 CO -0.02 -0.05 0.23 0.00 -1.51 0.00 0.00 179.97 178.63 1a99 h ALA 362 N 0.85 1.61 -0.69 2.80 0.00 -0.80 -2.26 119.26 120.78 1a99 h ALA 362 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1a99 h ALA 362 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1a99 h ALA 362 CO 0.01 0.33 0.13 2.35 0.00 0.00 0.00 179.25 182.07 1a99 h TRP 363 N 0.59 1.19 -0.69 0.00 2.91 -0.47 -1.41 115.95 118.07 1a99 h TRP 363 Ca 0.15 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1a99 h TRP 363 Cb 0.01 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.30 1a99 h TRP 363 CO 0.00 0.99 0.26 1.15 -1.03 0.00 0.00 178.44 179.81 1a99 h THR 364 N 1.06 1.24 0.63 2.65 2.02 -0.78 -1.30 112.91 118.43 1a99 h THR 364 Ca 0.21 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1a99 h THR 364 Cb 0.42 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1a99 h THR 364 CO 0.01 0.31 -0.30 0.11 0.37 0.00 0.00 175.52 176.01 1a99 h LYS 365 N 1.00 -0.82 -0.62 6.66 1.57 -0.99 -2.30 116.57 121.08 1a99 h LYS 365 Ca 0.23 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.18 1a99 h LYS 365 Cb 0.21 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.63 1a99 h LYS 365 CO -0.02 -0.51 0.16 0.28 -0.57 0.00 0.00 179.45 178.80 1a99 h VAL 366 N -0.98 0.67 0.46 0.50 2.07 -1.13 -2.88 116.25 114.95 1a99 h VAL 366 Ca -0.09 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1a99 h VAL 366 Cb 0.69 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1a99 h VAL 366 CO 0.14 0.06 -0.22 0.11 0.02 0.00 0.00 177.57 177.68 1a99 h LYS 367 N 0.31 -0.59 -0.91 1.57 1.57 -1.23 -3.22 116.57 114.06 1a99 h LYS 367 Ca 0.32 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.38 1a99 h LYS 367 Cb 0.47 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.78 1a99 h LYS 367 CO -0.38 -0.30 0.41 0.66 -0.57 0.00 0.00 179.45 179.26 1a99 h SER 368 N -0.82 0.33 0.00 0.86 4.64 -1.30 -3.51 113.55 113.74 1a99 h SER 368 Ca -0.06 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1a99 h SER 368 Cb 0.56 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1a99 h SER 368 CO 0.10 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.64