#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3d s ILE 28 N 0.00 2.35 -1.23 2.02 1.01 -0.13 -4.90 121.20 120.32 3a3d s ILE 28 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 3a3d s ILE 28 Cb 0.00 -3.21 0.12 0.00 0.01 0.00 0.00 42.46 39.38 3a3d s ILE 28 CO 0.00 0.07 1.56 0.21 0.00 0.00 0.00 174.94 176.78 3a3d s ASN 29 N -0.02 6.92 0.37 3.58 3.84 -1.26 -4.73 114.94 123.64 3a3d s ASN 29 Ca 0.55 -2.63 0.11 0.00 0.21 0.00 0.00 52.86 51.10 3a3d s ASN 29 Cb -0.44 -2.49 0.71 0.00 -0.55 0.00 0.00 41.25 38.48 3a3d s ASN 29 CO 0.54 -0.99 1.84 0.58 -2.79 0.00 0.00 177.10 176.27 3a3d h VAL 30 N 5.24 1.25 -0.53 -5.21 2.07 -1.97 -3.02 116.25 114.07 3a3d h VAL 30 Ca 0.37 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3a3d h VAL 30 Cb 0.88 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 3a3d h VAL 30 CO 1.35 0.34 0.13 -1.28 0.02 0.00 0.00 177.57 178.13 3a3d h SER 31 N 0.07 0.05 -0.64 0.57 0.87 -2.00 0.00 113.55 112.47 3a3d h SER 31 Ca 0.01 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3a3d h SER 31 Cb 0.61 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 3a3d h SER 31 CO 0.04 0.05 0.17 -0.78 -0.53 0.00 0.00 176.83 175.78 3a3d h ASP 32 N 0.27 0.97 -0.81 6.23 3.58 -1.94 -2.23 116.42 122.49 3a3d h ASP 32 Ca 0.27 -0.19 0.06 0.00 0.42 0.00 0.00 57.03 57.59 3a3d h ASP 32 Cb 0.36 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 3a3d h ASP 32 CO -0.33 0.93 0.53 -0.07 -2.88 0.00 0.00 179.24 177.42 3a3d h LEU 33 N 0.99 0.80 -0.36 2.28 3.38 -1.01 -1.86 115.31 119.53 3a3d h LEU 33 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3a3d h LEU 33 Cb 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a3d h LEU 33 CO -0.00 0.53 0.00 0.35 0.09 0.00 0.00 178.44 179.40 3a3d n THR 34 N -4.48 1.12 0.28 0.22 -2.24 -0.34 -2.08 114.28 106.76 3a3d n THR 34 Ca 0.12 0.34 0.18 0.00 -2.27 0.00 0.00 64.05 62.41 3a3d n THR 34 Cb 0.19 -1.21 0.96 0.00 -2.10 0.00 0.00 70.33 68.17 3a3d n THR 34 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3a3d h GLN 35 N 0.00 0.00 0.00 -0.78 1.08 -1.34 -1.21 115.11 112.86 3a3d h GLN 35 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3a3d h GLN 35 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3a3d h GLN 35 CO 0.00 0.00 0.00 0.87 -0.95 0.00 0.00 178.83 178.75 3a3d h LYS 36 N 0.00 0.00 -7.34 1.46 1.79 -1.61 -3.46 116.57 107.41 3a3d h LYS 36 Ca 0.03 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.00 3a3d h LYS 36 Cb 0.25 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.95 3a3d h LYS 36 CO -0.00 0.00 0.41 -0.51 -1.08 0.00 0.00 179.45 178.27 3a3d s LEU 37 N -5.07 3.28 0.68 2.94 1.43 -0.46 -4.65 118.68 116.83 3a3d s LEU 37 Ca 0.08 1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 3a3d s LEU 37 Cb 0.10 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3a3d s LEU 37 CO 0.59 -0.84 1.23 -2.65 0.23 0.00 0.00 176.35 174.92 3a3d n PRO 38 N -2.61 0.90 -1.77 1.29 -0.02 -1.26 -4.91 135.00 126.61 3a3d n PRO 38 Ca 0.06 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 3a3d n PRO 38 Cb 0.54 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3a3d n PRO 38 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3a3d s GLU 39 N -3.44 3.65 0.00 -0.52 2.12 -1.26 -2.04 118.70 117.21 3a3d s GLU 39 Ca 0.80 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.57 3a3d s GLU 39 Cb -0.37 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.38 3a3d s GLU 39 CO 0.43 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 3a3d n GLY 40 N 0.57 2.90 3.74 -1.50 0.00 -1.26 -4.78 105.19 104.85 3a3d n GLY 40 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3a3d n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3d s SER 41 N -1.32 4.03 -0.01 1.61 1.04 -0.86 -4.85 113.70 113.33 3a3d s SER 41 Ca 0.00 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.46 3a3d s SER 41 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 3a3d s SER 41 CO 0.00 -2.36 -0.14 0.21 0.98 0.00 0.00 173.24 171.94 3a3d s ASN 42 N -3.02 1.61 0.08 7.02 3.04 -0.34 -5.01 114.94 118.32 3a3d s ASN 42 Ca 0.64 -0.25 0.08 0.00 0.04 0.00 0.00 52.86 53.37 3a3d s ASN 42 Cb -0.20 -0.19 -0.03 0.00 -1.54 0.00 0.00 41.25 39.29 3a3d s ASN 42 CO 0.55 0.17 -0.20 0.00 -3.04 0.00 0.00 177.10 174.57 3a3d s ALA 43 N -0.31 1.75 -0.18 1.71 0.00 -1.26 -1.36 121.76 122.12 3a3d s ALA 43 Ca 0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 3a3d s ALA 43 Cb -0.05 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3a3d s ALA 43 CO -0.00 0.36 -0.07 0.20 0.00 0.00 0.00 175.76 176.25 3a3d s GLY 44 N -1.67 1.06 -0.05 0.00 0.00 1.00 -4.62 107.32 103.04 3a3d s GLY 44 Ca 0.06 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3a3d s GLY 44 CO 0.03 0.87 -0.08 0.14 0.00 0.00 0.00 173.10 174.06 3a3d s VAL 45 N 1.55 0.82 0.00 1.40 1.01 0.09 -0.24 120.40 125.03 3a3d s VAL 45 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3a3d s VAL 45 Cb -0.16 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 3a3d s VAL 45 CO -0.08 0.29 0.01 -0.51 0.00 0.00 0.00 175.10 174.81 3a3d s ILE 46 N 0.81 0.03 -0.02 2.22 2.07 -0.58 -0.91 121.20 124.82 3a3d s ILE 46 Ca -0.12 -0.24 -0.08 0.00 -1.41 0.00 0.00 60.65 58.80 3a3d s ILE 46 Cb -0.15 -0.10 0.01 0.00 0.13 0.00 0.00 42.46 42.35 3a3d s ILE 46 CO 0.02 -0.13 0.18 0.00 -1.91 0.00 0.00 174.94 173.10 3a3d s ALA 47 N -0.38 -0.44 -0.03 1.50 0.00 -0.62 -0.94 121.76 120.85 3a3d s ALA 47 Ca -0.04 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.09 3a3d s ALA 47 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3a3d s ALA 47 CO -0.00 -0.19 -0.18 0.21 0.00 0.00 0.00 175.76 175.61 3a3d s LYS 48 N -0.98 1.67 -0.40 0.00 2.20 0.53 -1.35 119.74 121.40 3a3d s LYS 48 Ca -0.11 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.64 3a3d s LYS 48 Cb -0.06 -1.51 0.02 0.00 -1.51 0.00 0.00 37.83 34.78 3a3d s LYS 48 CO 0.02 0.30 0.83 1.21 -0.36 0.00 0.00 175.35 177.35 3a3d s ASN 49 N -0.15 6.53 0.09 1.43 3.84 0.38 -0.88 114.94 126.17 3a3d s ASN 49 Ca 0.00 0.23 -0.16 0.00 0.21 0.00 0.00 52.86 53.15 3a3d s ASN 49 Cb -0.10 -2.41 -0.10 0.00 -0.55 0.00 0.00 41.25 38.09 3a3d s ASN 49 CO 0.01 -0.86 1.40 0.40 -2.79 0.00 0.00 177.10 175.27 3a3d h ILE 50 N 5.88 1.31 -0.69 -5.21 2.04 -1.22 -0.12 117.51 119.50 3a3d h ILE 50 Ca -0.24 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.23 3a3d h ILE 50 Cb 1.09 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.75 3a3d h ILE 50 CO 0.96 0.46 0.37 0.78 0.00 0.00 0.00 178.15 180.72 3a3d h ASN 51 N 0.38 0.52 1.10 1.72 -0.26 -1.91 -2.60 115.58 114.53 3a3d h ASN 51 Ca 0.04 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3a3d h ASN 51 Cb 0.85 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3a3d h ASN 51 CO 0.07 0.32 -0.43 1.56 -1.06 0.00 0.00 177.43 177.89 3a3d h GLN 52 N 0.66 0.00 -6.24 0.81 4.20 -1.89 -3.48 115.11 109.18 3a3d h GLN 52 Ca 0.32 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.59 3a3d h GLN 52 Cb 0.27 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.08 3a3d h GLN 52 CO -0.22 0.00 -0.87 -1.71 -0.67 0.00 0.00 178.83 175.35 3a3d n ASN 53 N -2.23 -1.89 -4.09 1.46 5.15 -0.11 -5.00 115.26 108.55 3a3d n ASN 53 Ca 0.04 -0.92 -0.27 0.00 -0.60 0.00 0.00 54.58 52.83 3a3d n ASN 53 Cb 0.45 -3.61 -0.17 0.00 -0.53 0.00 0.00 39.78 35.92 3a3d n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3a3d s GLN 54 N -6.12 2.13 -0.10 1.20 -1.52 -0.89 -4.98 119.66 109.38 3a3d s GLN 54 Ca 0.11 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 3a3d s GLN 54 Cb -0.04 -1.70 -0.02 0.00 -0.22 0.00 0.00 33.01 31.04 3a3d s GLN 54 CO 0.85 0.09 1.14 0.42 -0.25 0.00 0.00 175.29 177.54 3a3d s ILE 55 N 0.51 4.45 -0.54 1.08 -1.09 -1.26 -0.47 121.20 123.87 3a3d s ILE 55 Ca -0.15 1.75 0.09 0.00 -2.23 0.00 0.00 60.65 60.11 3a3d s ILE 55 Cb -0.16 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.52 3a3d s ILE 55 CO 0.05 -0.03 0.44 2.30 -1.23 0.00 0.00 174.94 176.48 3a3d n ILE 56 N 4.75 0.00 -3.76 2.92 -5.35 -0.46 -4.93 119.36 112.53 3a3d n ILE 56 Ca 0.11 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 3a3d n ILE 56 Cb 0.47 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 39.27 3a3d n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3d s ALA 57 N -1.73 -0.58 -0.39 -1.28 0.00 -1.22 -0.96 121.76 115.60 3a3d s ALA 57 Ca 0.05 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3a3d s ALA 57 Cb 0.07 -0.50 0.18 0.00 0.00 0.00 0.00 23.12 22.88 3a3d s ALA 57 CO 0.34 -0.15 0.62 0.34 0.00 0.00 0.00 175.76 176.92 3a3d s ASP 58 N 0.60 -1.54 -0.18 0.00 -1.08 -1.24 -1.59 116.67 111.63 3a3d s ASP 58 Ca -0.04 -0.65 -0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3a3d s ASP 58 Cb -0.05 1.97 0.05 0.00 -1.46 0.00 0.00 42.92 43.43 3a3d s ASP 58 CO -0.03 -0.19 -0.04 -0.47 0.52 0.00 0.00 175.17 174.96 3a3d s TYR 59 N 1.99 1.75 -1.45 -5.34 5.04 -0.09 -4.69 117.35 114.56 3a3d s TYR 59 Ca 0.15 -1.18 -0.11 0.00 -2.44 0.00 0.00 57.07 53.49 3a3d s TYR 59 Cb -0.05 -1.33 0.07 0.00 0.35 0.00 0.00 41.96 41.00 3a3d s TYR 59 CO -0.10 -0.64 0.72 0.09 -1.34 0.00 0.00 175.55 174.28 3a3d n ASN 60 N 4.86 -4.58 0.25 4.32 3.02 -1.26 -0.73 115.26 121.13 3a3d n ASN 60 Ca -0.12 -0.55 0.13 0.00 -0.03 0.00 0.00 54.58 54.02 3a3d n ASN 60 Cb 0.47 -3.71 0.54 0.00 -0.61 0.00 0.00 39.78 36.47 3a3d n ASN 60 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a3d h GLY 61 N -1.52 0.00 -2.27 7.41 0.00 -1.84 -2.42 103.07 102.44 3a3d h GLY 61 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3a3d h GLY 61 CO 0.60 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.58 3a3d n SER 62 N -3.25 3.41 -4.70 0.19 7.64 -1.26 -0.93 113.62 114.73 3a3d n SER 62 Ca 0.01 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.48 3a3d n SER 62 Cb 0.38 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3a3d n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3a3d s THR 63 N -1.53 4.88 0.12 0.44 2.01 -0.91 -4.77 115.64 115.88 3a3d s THR 63 Ca 0.38 1.87 -0.31 0.00 0.31 0.00 0.00 61.69 63.94 3a3d s THR 63 Cb 0.23 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 3a3d s THR 63 CO 0.32 0.12 1.54 -0.36 -0.69 0.00 0.00 174.62 175.55 3a3d s PHE 64 N 1.40 2.94 0.33 4.92 0.08 -1.26 -4.07 117.98 122.32 3a3d s PHE 64 Ca 0.46 0.63 0.04 0.00 0.12 0.00 0.00 56.93 58.18 3a3d s PHE 64 Cb -0.19 -3.87 -0.03 0.00 -0.57 0.00 0.00 43.02 38.35 3a3d s PHE 64 CO 0.21 -3.27 0.18 -1.64 -0.10 0.00 0.00 175.22 170.60 3a3d s MET 65 N 1.54 1.70 -0.13 0.44 -1.94 -0.24 -4.79 119.30 115.87 3a3d s MET 65 Ca 0.70 -1.99 -0.25 0.00 -1.71 0.00 0.00 55.69 52.44 3a3d s MET 65 Cb -0.41 -0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.32 3a3d s MET 65 CO 0.31 -0.51 0.81 -0.51 -0.01 0.00 0.00 175.02 175.11 3a3d s LEU 66 N -3.42 4.22 0.28 -0.03 1.43 -1.26 -1.34 118.68 118.56 3a3d s LEU 66 Ca 0.34 1.21 0.23 0.00 -1.03 0.00 0.00 54.13 54.88 3a3d s LEU 66 Cb 0.04 -3.22 0.12 0.00 0.03 0.00 0.00 46.19 43.16 3a3d s LEU 66 CO 0.19 -0.32 1.24 1.55 0.23 0.00 0.00 176.35 179.24 3a3d h PRO 67 N 7.17 0.00 0.00 1.29 0.13 -1.87 -3.47 132.00 135.25 3a3d h PRO 67 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3a3d h PRO 67 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3a3d h PRO 67 CO 0.81 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 3a3d n ALA 68 N -2.15 0.00 0.44 -0.56 0.00 -1.26 -1.87 120.51 115.12 3a3d n ALA 68 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3a3d n ALA 68 Cb 0.54 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.25 3a3d n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a3d n SER 69 N -1.62 0.00 0.33 0.00 7.64 -1.25 -1.49 113.62 117.22 3a3d n SER 69 Ca 0.00 0.38 0.22 0.00 1.01 0.00 0.00 58.87 60.48 3a3d n SER 69 Cb 0.00 -0.43 1.14 0.00 -1.01 0.00 0.00 64.21 63.90 3a3d n SER 69 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3a3d h THR 70 N 0.00 0.00 -0.55 0.44 1.35 -1.32 -1.34 112.91 111.49 3a3d h THR 70 Ca 0.00 -0.07 0.16 0.00 -0.55 0.00 0.00 66.41 65.95 3a3d h THR 70 Cb 0.17 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3a3d h THR 70 CO 0.00 0.00 0.40 -0.61 -0.25 0.00 0.00 175.52 175.06 3a3d h GLN 71 N 0.00 0.00 0.00 4.72 5.75 -1.40 -1.35 115.11 122.83 3a3d h GLN 71 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a3d h GLN 71 Cb 0.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 3a3d h GLN 71 CO 0.00 0.00 -0.02 0.87 -2.65 0.00 0.00 178.83 177.03 3a3d h LYS 72 N 0.00 0.00 -0.85 1.69 1.57 -1.30 -0.40 116.57 117.27 3a3d h LYS 72 Ca 0.26 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3a3d h LYS 72 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 3a3d h LYS 72 CO -0.00 0.02 0.55 0.28 -0.57 0.00 0.00 179.45 179.73 3a3d h VAL 73 N 0.00 1.12 -0.68 0.50 2.07 -1.43 0.58 116.25 118.41 3a3d h VAL 73 Ca -0.00 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3a3d h VAL 73 Cb 0.10 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 3a3d h VAL 73 CO 0.00 0.19 0.18 -0.26 0.02 0.00 0.00 177.57 177.71 3a3d h PHE 74 N 1.05 1.10 -0.62 1.57 0.04 -1.25 -2.46 116.94 116.37 3a3d h PHE 74 Ca 0.34 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 3a3d h PHE 74 Cb 0.03 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3a3d h PHE 74 CO -0.02 0.89 0.11 1.15 -0.60 0.00 0.00 178.31 179.84 3a3d h THR 75 N 1.01 1.26 -0.71 -1.55 2.02 -1.44 -1.42 112.91 112.09 3a3d h THR 75 Ca 0.22 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3a3d h THR 75 Cb 0.33 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3a3d h THR 75 CO -0.00 0.37 0.45 0.00 0.37 0.00 0.00 175.52 176.71 3a3d h ALA 76 N 1.03 0.90 -0.22 6.16 0.00 -0.54 0.03 119.26 126.62 3a3d h ALA 76 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3a3d h ALA 76 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a3d h ALA 76 CO 0.01 0.34 -0.39 0.28 0.00 0.00 0.00 179.25 179.49 3a3d h VAL 77 N 0.97 1.32 -0.85 0.00 2.07 -1.23 -1.64 116.25 116.88 3a3d h VAL 77 Ca 0.26 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3a3d h VAL 77 Cb -0.08 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3a3d h VAL 77 CO -0.05 0.50 0.44 0.00 0.02 0.00 0.00 177.57 178.48 3a3d h ALA 78 N 0.63 1.09 -0.36 1.67 0.00 -1.08 -1.82 119.26 119.39 3a3d h ALA 78 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3a3d h ALA 78 Cb 0.99 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3a3d h ALA 78 CO 0.09 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 3a3d h ALA 79 N 1.24 0.48 -0.43 0.00 0.00 -0.90 0.02 119.26 119.66 3a3d h ALA 79 Ca 0.30 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a3d h ALA 79 Cb 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3a3d h ALA 79 CO -0.04 0.29 0.08 0.87 0.00 0.00 0.00 179.25 180.45 3a3d h LYS 80 N 0.46 0.20 -0.31 0.00 1.79 -1.03 0.83 116.57 118.52 3a3d h LYS 80 Ca 0.10 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 3a3d h LYS 80 Cb 0.53 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3a3d h LYS 80 CO 0.03 0.13 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.30 3a3d h LEU 81 N 0.21 0.68 0.01 2.94 3.38 -1.17 -2.89 115.31 118.45 3a3d h LEU 81 Ca 0.21 -0.41 -0.33 0.00 0.09 0.00 0.00 57.88 57.44 3a3d h LEU 81 Cb 0.27 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3a3d h LEU 81 CO -0.29 0.94 -2.02 0.00 0.09 0.00 0.00 178.44 177.17 3a3d n ALA 82 N -2.45 1.47 -0.12 1.53 0.00 -0.02 -4.61 120.51 116.31 3a3d n ALA 82 Ca -0.03 -1.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.23 3a3d n ALA 82 Cb 0.39 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 3a3d n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a3d n LEU 83 N -2.95 2.77 0.00 0.00 4.77 0.23 -4.90 117.00 116.92 3a3d n LEU 83 Ca -0.25 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3a3d n LEU 83 Cb 1.09 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3a3d n LEU 83 CO 0.44 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3a3d n GLY 84 N 2.22 -1.29 0.15 -0.72 0.00 -0.86 -4.21 105.19 100.47 3a3d n GLY 84 Ca -0.43 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.12 3a3d n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a3d h ASP 85 N 0.00 0.00 -0.02 1.61 3.32 -1.90 -1.96 116.42 117.47 3a3d h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a3d h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a3d h ASP 85 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3a3d n GLN 86 N -2.40 1.53 -2.13 3.56 3.00 -1.26 -3.88 117.38 115.81 3a3d n GLN 86 Ca 0.02 -0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 55.83 3a3d n GLN 86 Cb 0.27 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 29.01 3a3d n GLN 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3a3d s PHE 87 N -1.99 3.11 0.02 1.08 5.36 -0.74 -4.80 117.98 120.02 3a3d s PHE 87 Ca 0.40 1.28 0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3a3d s PHE 87 Cb 0.21 -3.68 -0.01 0.00 -0.34 0.00 0.00 43.02 39.20 3a3d s PHE 87 CO 0.34 -2.01 -0.05 -0.65 -1.46 0.00 0.00 175.22 171.38 3a3d s GLN 88 N -1.02 0.41 0.30 10.12 -0.21 -1.26 -0.74 119.66 127.27 3a3d s GLN 88 Ca 0.53 -0.42 -0.27 0.00 0.02 0.00 0.00 55.36 55.22 3a3d s GLN 88 Cb -0.39 -0.28 -0.10 0.00 1.00 0.00 0.00 33.01 33.24 3a3d s GLN 88 CO 0.46 0.06 0.95 -0.06 -2.12 0.00 0.00 175.29 174.58 3a3d s PHE 89 N -0.70 3.76 -0.13 0.91 0.08 -1.26 -4.83 117.98 115.82 3a3d s PHE 89 Ca -0.04 1.82 -0.02 0.00 0.12 0.00 0.00 56.93 58.81 3a3d s PHE 89 Cb -0.05 -2.94 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 3a3d s PHE 89 CO -0.00 0.26 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.10 3a3d s GLU 90 N -1.84 3.37 -0.11 0.44 2.02 -1.26 -1.08 118.70 120.24 3a3d s GLU 90 Ca 0.48 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.92 3a3d s GLU 90 Cb -0.21 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.27 3a3d s GLU 90 CO 0.26 0.35 -0.16 0.99 0.02 0.00 0.00 175.26 176.71 3a3d s THR 91 N 0.05 1.59 0.10 3.63 2.01 -0.56 -3.68 115.64 118.78 3a3d s THR 91 Ca -0.01 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3a3d s THR 91 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3a3d s THR 91 CO 0.03 0.46 -0.07 0.00 -0.69 0.00 0.00 174.62 174.35 3a3d s ALA 92 N 0.95 1.02 -0.10 7.40 0.00 -0.44 -0.17 121.76 130.42 3a3d s ALA 92 Ca -0.07 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.57 3a3d s ALA 92 Cb -0.15 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3a3d s ALA 92 CO -0.02 -0.22 -0.22 -0.51 0.00 0.00 0.00 175.76 174.80 3a3d s LEU 93 N -3.03 2.18 0.07 0.00 1.43 0.32 -0.47 118.68 119.18 3a3d s LEU 93 Ca 0.12 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3a3d s LEU 93 Cb 0.05 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3a3d s LEU 93 CO -0.04 0.16 -0.05 -0.76 0.23 0.00 0.00 176.35 175.89 3a3d s LEU 94 N 0.34 2.48 0.06 1.79 1.02 -0.17 -0.53 118.68 123.66 3a3d s LEU 94 Ca -0.18 -0.97 -0.14 0.00 0.02 0.00 0.00 54.13 52.86 3a3d s LEU 94 Cb -0.18 0.04 0.02 0.00 0.02 0.00 0.00 46.19 46.09 3a3d s LEU 94 CO 0.08 -0.50 0.33 -0.55 0.02 0.00 0.00 176.35 175.73 3a3d s SER 95 N -2.87 -0.15 0.00 2.29 0.15 -0.75 -0.45 113.70 111.92 3a3d s SER 95 Ca 0.08 -0.22 0.23 0.00 0.70 0.00 0.00 55.95 56.75 3a3d s SER 95 Cb 0.05 0.39 0.18 0.00 -1.71 0.00 0.00 66.02 64.93 3a3d s SER 95 CO -0.06 -0.67 1.20 0.59 1.20 0.00 0.00 173.24 175.50 3a3d n ASN 96 N 0.37 1.66 -4.93 5.45 3.02 -1.26 -0.03 115.26 119.55 3a3d n ASN 96 Ca -0.18 -1.29 -0.26 0.00 -0.03 0.00 0.00 54.58 52.83 3a3d n ASN 96 Cb 0.60 0.43 0.03 0.00 -0.61 0.00 0.00 39.78 40.23 3a3d n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3a3d s GLY 97 N -2.54 1.60 0.27 7.41 0.00 -1.26 -4.96 107.32 107.85 3a3d s GLY 97 Ca 0.19 -0.80 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 3a3d s GLY 97 CO 0.59 -0.54 0.88 0.54 0.00 0.00 0.00 173.10 174.56 3a3d s LYS 98 N -4.89 4.58 -0.39 2.90 1.02 -1.26 -4.72 119.74 116.99 3a3d s LYS 98 Ca 0.53 1.26 -0.29 0.00 0.02 0.00 0.00 55.97 57.48 3a3d s LYS 98 Cb -0.10 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3a3d s LYS 98 CO 0.43 0.38 1.23 0.42 -0.92 0.00 0.00 175.35 176.90 3a3d s ILE 99 N -1.46 4.17 -0.02 2.17 1.01 -1.26 -1.53 121.20 124.28 3a3d s ILE 99 Ca 0.45 1.26 0.03 0.00 0.00 0.00 0.00 60.65 62.39 3a3d s ILE 99 Cb -0.20 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3a3d s ILE 99 CO 0.25 -0.72 -0.09 0.00 0.00 0.00 0.00 174.94 174.38 3a3d s GLN 100 N 4.35 0.93 -1.54 2.79 -2.07 0.32 -4.88 119.66 119.57 3a3d s GLN 100 Ca 0.53 -0.31 -0.05 0.00 -1.82 0.00 0.00 55.36 53.70 3a3d s GLN 100 Cb -0.12 -0.88 0.01 0.00 -1.09 0.00 0.00 33.01 30.93 3a3d s GLN 100 CO 0.27 0.13 0.70 0.09 -1.32 0.00 0.00 175.29 175.15 3a3d n ASN 101 N 3.22 -6.22 0.00 12.60 5.03 -1.26 -0.98 115.26 127.65 3a3d n ASN 101 Ca -0.17 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 54.95 3a3d n ASN 101 Cb 0.55 -5.01 0.00 0.00 -1.02 0.00 0.00 39.78 34.30 3a3d n ASN 101 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a3d n GLY 102 N -1.61 0.66 3.40 7.41 0.00 -1.26 -4.98 105.19 108.81 3a3d n GLY 102 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3a3d n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3d s ASN 103 N -2.39 3.78 -0.43 1.61 0.01 -0.15 0.63 114.94 118.00 3a3d s ASN 103 Ca 0.00 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.60 3a3d s ASN 103 Cb 0.00 -0.99 0.02 0.00 0.41 0.00 0.00 41.25 40.69 3a3d s ASN 103 CO 0.00 0.28 0.88 -0.22 -1.51 0.00 0.00 177.10 176.53 3a3d s LEU 104 N -0.36 4.07 -1.18 0.60 2.96 0.12 -0.52 118.68 124.38 3a3d s LEU 104 Ca 0.03 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3a3d s LEU 104 Cb -0.12 -3.13 0.22 0.00 0.50 0.00 0.00 46.19 43.65 3a3d s LEU 104 CO 0.02 -0.96 2.03 -0.67 -1.32 0.00 0.00 176.35 175.46 3a3d n ASP 105 N 6.93 7.37 -0.73 3.68 2.03 -0.58 -1.12 116.55 134.12 3a3d n ASP 105 Ca 0.05 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.97 3a3d n ASP 105 Cb 0.48 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 3a3d n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a3d n GLY 106 N 1.05 0.51 3.86 0.27 0.00 -1.26 -4.15 105.19 105.47 3a3d n GLY 106 Ca 0.51 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3a3d n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3d s ASN 107 N -0.19 6.49 -0.26 1.61 0.01 -1.26 -1.90 114.94 119.45 3a3d s ASN 107 Ca 0.00 1.39 -0.11 0.00 -0.71 0.00 0.00 52.86 53.43 3a3d s ASN 107 Cb 0.00 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3a3d s ASN 107 CO 0.00 -0.61 0.19 -0.22 -1.51 0.00 0.00 177.10 174.96 3a3d s LEU 108 N -4.31 4.07 -0.20 0.60 2.96 -0.17 -4.31 118.68 117.33 3a3d s LEU 108 Ca 0.55 0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.45 3a3d s LEU 108 Cb -0.10 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 3a3d s LEU 108 CO 0.37 -0.00 0.11 -0.63 -1.32 0.00 0.00 176.35 174.88 3a3d s ILE 109 N 1.42 5.17 -0.18 6.68 1.01 0.41 -1.18 121.20 134.52 3a3d s ILE 109 Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 3a3d s ILE 109 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3a3d s ILE 109 CO 0.08 0.44 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 3a3d s VAL 110 N 0.41 2.67 -0.26 2.92 1.01 -0.30 -1.00 120.40 125.85 3a3d s VAL 110 Ca 0.06 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3a3d s VAL 110 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3a3d s VAL 110 CO -0.01 0.49 0.15 -0.55 0.00 0.00 0.00 175.10 175.19 3a3d s SER 111 N 1.19 5.85 -0.07 3.32 0.15 0.38 -1.28 113.70 123.25 3a3d s SER 111 Ca 0.02 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.68 3a3d s SER 111 Cb -0.14 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 3a3d s SER 111 CO -0.06 0.00 -0.09 -0.36 1.20 0.00 0.00 173.24 173.93 3a3d s PHE 112 N 1.44 2.86 -0.07 3.44 0.08 -0.46 -1.33 117.98 123.94 3a3d s PHE 112 Ca 0.07 -0.07 0.10 0.00 0.12 0.00 0.00 56.93 57.15 3a3d s PHE 112 Cb -0.15 -1.69 0.17 0.00 -0.57 0.00 0.00 43.02 40.77 3a3d s PHE 112 CO 0.07 0.26 1.09 0.25 -0.10 0.00 0.00 175.22 176.78 3a3d n THR 113 N 2.33 0.97 0.00 0.64 -2.24 -1.22 -4.42 114.28 110.33 3a3d n THR 113 Ca -0.18 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 3a3d n THR 113 Cb 0.53 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3a3d n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3d n GLY 114 N -0.69 0.85 3.68 3.38 0.00 0.11 -4.90 105.19 107.62 3a3d n GLY 114 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 3a3d n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a3d n ASP 115 N 0.00 3.02 -0.87 1.61 -0.08 -1.26 -4.80 116.55 114.17 3a3d n ASP 115 Ca 0.00 1.02 0.07 0.00 -1.51 0.00 0.00 54.79 54.38 3a3d n ASP 115 Cb 0.00 -1.31 0.21 0.00 2.34 0.00 0.00 41.12 42.35 3a3d n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a3d n PRO 116 N 5.56 2.10 -1.94 -0.67 -0.04 -1.26 -3.97 135.00 134.78 3a3d n PRO 116 Ca 0.22 -1.68 0.01 0.00 -0.04 0.00 0.00 63.50 62.01 3a3d n PRO 116 Cb 0.25 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3a3d n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a3d n ASP 117 N 0.86 1.57 -4.63 3.54 2.03 -1.26 -4.69 116.55 113.97 3a3d n ASP 117 Ca 0.16 -2.33 -0.38 0.00 0.52 0.00 0.00 54.79 52.76 3a3d n ASP 117 Cb 0.40 -0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 40.32 3a3d n ASP 117 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3a3d s LEU 118 N -1.97 4.09 0.43 -2.67 2.96 -1.25 -4.97 118.68 115.30 3a3d s LEU 118 Ca 0.33 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3a3d s LEU 118 Cb 0.36 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3a3d s LEU 118 CO -0.10 -0.11 0.62 0.42 -1.32 0.00 0.00 176.35 175.86 3a3d s THR 119 N 1.65 3.54 0.28 3.68 -4.23 -1.26 -1.10 115.64 118.20 3a3d s THR 119 Ca 0.15 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3a3d s THR 119 Cb -0.15 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.54 3a3d s THR 119 CO 0.08 -0.15 1.77 -0.09 -0.54 0.00 0.00 174.62 175.70 3a3d h ARG 120 N 0.51 0.66 -0.38 3.99 2.43 -1.96 -1.70 114.38 117.93 3a3d h ARG 120 Ca -0.44 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 58.44 3a3d h ARG 120 Cb 1.27 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3a3d h ARG 120 CO 0.53 0.72 -0.19 0.78 -1.51 0.00 0.00 179.97 180.30 3a3d h GLY 121 N 0.95 0.77 0.99 2.80 0.00 -1.99 -0.35 103.07 106.24 3a3d h GLY 121 Ca 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3a3d h GLY 121 CO 0.03 0.57 0.33 1.46 0.00 0.00 0.00 176.54 178.92 3a3d h GLN 122 N 0.63 0.82 -0.44 4.80 4.20 -1.85 -0.57 115.11 122.70 3a3d h GLN 122 Ca 0.10 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3a3d h GLN 122 Cb 0.66 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3a3d h GLN 122 CO 0.05 0.62 -0.01 1.25 -0.67 0.00 0.00 178.83 180.07 3a3d h LEU 123 N 0.80 0.70 -0.43 1.46 5.85 -0.89 -1.50 115.31 121.30 3a3d h LEU 123 Ca 0.21 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3a3d h LEU 123 Cb 0.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3a3d h LEU 123 CO -0.03 0.77 0.08 0.22 -0.34 0.00 0.00 178.44 179.14 3a3d h TYR 124 N 0.68 0.74 -0.35 1.25 3.20 -0.83 -1.09 116.97 120.57 3a3d h TYR 124 Ca 0.13 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3a3d h TYR 124 Cb 0.43 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3a3d h TYR 124 CO 0.02 0.71 -0.13 0.77 -1.64 0.00 0.00 178.16 177.89 3a3d h SER 125 N 0.56 0.60 -0.25 -2.11 0.02 -0.91 0.12 113.55 111.58 3a3d h SER 125 Ca 0.13 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3a3d h SER 125 Cb 0.36 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3a3d h SER 125 CO 0.01 0.76 0.12 0.25 -1.14 0.00 0.00 176.83 176.83 3a3d h LEU 126 N 0.56 0.33 -1.03 5.07 5.85 -1.02 -2.95 115.31 122.13 3a3d h LEU 126 Ca 0.10 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3a3d h LEU 126 Cb 0.55 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3a3d h LEU 126 CO 0.03 0.35 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.02 3a3d h LEU 127 N 0.28 0.17 -2.29 2.25 3.38 -0.75 -1.90 115.31 116.44 3a3d h LEU 127 Ca 0.09 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3a3d h LEU 127 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3a3d h LEU 127 CO -0.01 0.56 0.13 0.00 0.09 0.00 0.00 178.44 179.21 3a3d h ALA 128 N 1.45 1.73 0.00 1.53 0.00 -0.60 -0.80 119.26 122.57 3a3d h ALA 128 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a3d h ALA 128 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a3d h ALA 128 CO 0.06 -0.19 -0.01 1.49 0.00 0.00 0.00 179.25 180.61 3a3d h GLU 129 N 0.00 0.00 -0.66 0.00 4.57 -1.24 -1.34 114.58 115.90 3a3d h GLU 129 Ca 0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3a3d h GLU 129 Cb 0.31 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3a3d h GLU 129 CO -0.00 0.01 0.13 -0.07 -1.18 0.00 0.00 179.01 177.90 3a3d h LEU 130 N 0.00 1.01 -0.96 1.64 3.38 -1.29 -1.99 115.31 117.09 3a3d h LEU 130 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3a3d h LEU 130 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3a3d h LEU 130 CO 0.00 0.99 0.23 0.11 0.09 0.00 0.00 178.44 179.86 3a3d h LYS 131 N 1.01 0.98 -0.50 1.13 1.57 -1.39 -0.98 116.57 118.39 3a3d h LYS 131 Ca 0.21 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3a3d h LYS 131 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3a3d h LYS 131 CO 0.01 0.82 0.21 0.87 -0.57 0.00 0.00 179.45 180.79 3a3d h LYS 132 N 0.96 0.71 -0.19 3.15 1.57 -1.07 -0.02 116.57 121.68 3a3d h LYS 132 Ca 0.22 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3a3d h LYS 132 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3a3d h LYS 132 CO -0.01 0.57 0.00 1.04 -0.57 0.00 0.00 179.45 180.48 3a3d n GLN 133 N -4.36 1.09 -1.06 3.15 6.02 -0.79 -4.88 117.38 116.56 3a3d n GLN 133 Ca 0.04 -0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 56.88 3a3d n GLN 133 Cb 0.14 -1.11 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 3a3d n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3d n GLY 134 N 0.47 0.54 3.68 1.08 0.00 -0.02 -5.02 105.19 105.92 3a3d n GLY 134 Ca 0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3a3d n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 135 N -1.98 4.69 0.00 -0.61 1.01 -0.40 -4.22 121.20 119.70 3a3d s ILE 135 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3a3d s ILE 135 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3a3d s ILE 135 CO 0.00 -0.04 0.43 2.29 0.00 0.00 0.00 174.94 177.62 3a3d n LYS 136 N 5.34 -0.34 -3.71 2.79 -0.00 0.21 -4.17 118.16 118.27 3a3d n LYS 136 Ca 0.10 -0.43 -0.14 0.00 -0.00 0.00 0.00 58.31 57.84 3a3d n LYS 136 Cb 0.48 -0.93 -0.09 0.00 -0.00 0.00 0.00 35.03 34.49 3a3d n LYS 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3a3d s LYS 137 N -0.07 0.60 -0.20 -1.58 2.20 -1.03 -1.19 119.74 118.46 3a3d s LYS 137 Ca 0.00 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 3a3d s LYS 137 Cb 0.00 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3a3d s LYS 137 CO 0.00 -0.10 -0.06 0.42 -0.36 0.00 0.00 175.35 175.25 3a3d s ILE 138 N -0.14 3.35 -0.17 5.43 1.01 0.55 -0.70 121.20 130.53 3a3d s ILE 138 Ca -0.03 -0.51 0.19 0.00 0.00 0.00 0.00 60.65 60.29 3a3d s ILE 138 Cb -0.03 -2.50 0.16 0.00 0.01 0.00 0.00 42.46 40.10 3a3d s ILE 138 CO 0.02 0.45 1.56 0.78 0.00 0.00 0.00 174.94 177.74 3a3d h ASN 139 N 7.77 0.00 0.00 3.58 2.35 -1.27 -3.40 115.58 124.61 3a3d h ASN 139 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3a3d h ASN 139 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3a3d h ASN 139 CO 0.60 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 177.32 3a3d n GLY 140 N 0.99 3.30 3.83 2.83 0.00 -0.80 -4.88 105.19 110.46 3a3d n GLY 140 Ca 0.02 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 3a3d n GLY 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a3d s ASP 141 N -0.15 5.20 -0.26 1.61 1.01 -1.26 -3.80 116.67 119.02 3a3d s ASP 141 Ca 0.00 -0.52 -0.11 0.00 0.71 0.00 0.00 52.55 52.63 3a3d s ASP 141 Cb 0.00 -0.96 -0.05 0.00 1.01 0.00 0.00 42.92 42.92 3a3d s ASP 141 CO 0.00 -0.32 0.18 -0.22 0.21 0.00 0.00 175.17 175.02 3a3d s LEU 142 N -3.96 4.06 -0.13 1.23 2.96 -0.07 -1.00 118.68 121.77 3a3d s LEU 142 Ca 0.40 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 3a3d s LEU 142 Cb -0.05 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3a3d s LEU 142 CO 0.26 -0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.39 3a3d s VAL 143 N 1.50 1.85 -0.06 1.68 1.01 -0.33 -0.61 120.40 125.44 3a3d s VAL 143 Ca 0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3a3d s VAL 143 Cb -0.15 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3a3d s VAL 143 CO 0.09 0.51 0.26 -0.76 0.00 0.00 0.00 175.10 175.19 3a3d s LEU 144 N 0.84 4.42 -0.33 3.92 1.43 -0.90 -1.14 118.68 126.91 3a3d s LEU 144 Ca -0.08 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3a3d s LEU 144 Cb -0.15 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.77 3a3d s LEU 144 CO -0.01 0.35 0.07 -0.62 0.23 0.00 0.00 176.35 176.37 3a3d s ASP 145 N -1.16 5.04 -0.21 2.29 -1.08 -0.41 -4.34 116.67 116.81 3a3d s ASP 145 Ca 0.20 -1.46 0.14 0.00 -0.52 0.00 0.00 52.55 50.91 3a3d s ASP 145 Cb -0.14 -1.76 0.45 0.00 -1.46 0.00 0.00 42.92 40.01 3a3d s ASP 145 CO 0.09 -0.34 1.35 0.35 0.52 0.00 0.00 175.17 177.14 3a3d n THR 146 N 4.63 2.28 0.30 1.71 -2.24 -1.26 -1.35 114.28 118.35 3a3d n THR 146 Ca -0.10 -2.45 0.19 0.00 -2.27 0.00 0.00 64.05 59.42 3a3d n THR 146 Cb 0.43 -0.27 0.90 0.00 -2.10 0.00 0.00 70.33 69.28 3a3d n THR 146 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3a3d h SER 147 N 1.01 0.00 0.56 3.42 4.64 -1.84 -2.94 113.55 118.40 3a3d h SER 147 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3a3d h SER 147 Cb 1.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3a3d h SER 147 CO 0.20 0.00 -0.08 -0.37 -0.87 0.00 0.00 176.83 175.70 3a3d h VAL 148 N 0.00 0.32 -3.55 0.95 -1.51 -1.90 -3.42 116.25 107.14 3a3d h VAL 148 Ca 0.00 -0.53 -0.67 0.00 -1.23 0.00 0.00 66.70 64.27 3a3d h VAL 148 Cb 0.20 1.39 -0.16 0.00 -2.13 0.00 0.00 31.29 30.59 3a3d h VAL 148 CO 0.00 0.08 -0.69 -0.36 -1.23 0.00 0.00 177.57 175.37 3a3d s PHE 149 N -3.96 2.93 0.16 5.19 0.08 -1.11 -1.23 117.98 120.03 3a3d s PHE 149 Ca -0.02 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.04 3a3d s PHE 149 Cb 0.12 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3a3d s PHE 149 CO 0.55 0.39 -0.00 -1.54 -0.10 0.00 0.00 175.22 174.52 3a3d s SER 150 N -1.45 1.09 0.78 1.36 1.04 -0.09 -4.73 113.70 111.70 3a3d s SER 150 Ca 0.18 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3a3d s SER 150 Cb -0.11 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3a3d s SER 150 CO 0.08 -0.57 0.00 -0.24 0.98 0.00 0.00 173.24 173.49 3a3d n SER 151 N -0.19 -1.56 -4.77 7.02 2.88 -1.26 -3.95 113.62 111.78 3a3d n SER 151 Ca -0.07 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.13 3a3d n SER 151 Cb 0.63 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.12 3a3d n SER 151 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3a3d s HIS 152 N 0.00 2.67 -0.76 0.66 3.76 -1.26 -4.92 115.29 115.44 3a3d s HIS 152 Ca 0.00 1.55 0.13 0.00 -0.15 0.00 0.00 55.06 56.59 3a3d s HIS 152 Cb 0.00 -3.18 0.64 0.00 1.11 0.00 0.00 32.58 31.16 3a3d s HIS 152 CO 0.00 -1.60 1.51 -0.25 -0.85 0.00 0.00 174.74 173.55 3a3d n ASP 153 N -2.12 4.51 -4.25 1.40 8.00 -1.26 -4.65 116.55 118.18 3a3d n ASP 153 Ca 0.10 -2.59 -0.25 0.00 0.71 0.00 0.00 54.79 52.76 3a3d n ASP 153 Cb 0.52 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 3a3d n ASP 153 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3d s ARG 154 N -2.15 1.38 0.47 -1.24 0.52 -1.26 -3.75 118.95 112.92 3a3d s ARG 154 Ca 0.44 -0.96 -0.22 0.00 -0.52 0.00 0.00 55.73 54.47 3a3d s ARG 154 Cb 0.31 -1.50 -0.07 0.00 0.52 0.00 0.00 34.95 34.21 3a3d s ARG 154 CO 0.16 0.38 1.15 0.20 0.02 0.00 0.00 175.30 177.22 3a3d s GLY 155 N -1.23 2.75 0.43 -3.53 0.00 -1.26 -4.96 107.32 99.52 3a3d s GLY 155 Ca 0.07 0.90 -0.24 0.00 0.00 0.00 0.00 44.72 45.46 3a3d s GLY 155 CO 0.02 1.34 1.15 1.08 0.00 0.00 0.00 173.10 176.69 3a3d s LEU 156 N -3.15 4.09 0.00 0.66 1.43 -1.26 -3.05 118.68 117.40 3a3d s LEU 156 Ca 0.65 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3a3d s LEU 156 Cb -0.27 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.79 3a3d s LEU 156 CO 0.33 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3a3d n GLY 157 N 0.49 0.85 3.77 -3.19 0.00 -1.26 -4.64 105.19 101.20 3a3d n GLY 157 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3a3d n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a3d s TRP 158 N -3.35 2.85 0.19 1.61 0.52 -1.17 -1.26 118.94 118.34 3a3d s TRP 158 Ca 0.00 1.55 -0.30 0.00 0.02 0.00 0.00 56.10 57.37 3a3d s TRP 158 Cb 0.00 -3.33 -0.08 0.00 -1.15 0.00 0.00 33.47 28.91 3a3d s TRP 158 CO 0.00 -1.45 0.99 0.42 0.02 0.00 0.00 176.95 176.94 3a3d s ILE 159 N -1.62 4.10 0.25 2.03 1.01 -1.26 -4.96 121.20 120.76 3a3d s ILE 159 Ca 0.66 1.93 0.02 0.00 0.00 0.00 0.00 60.65 63.25 3a3d s ILE 159 Cb -0.27 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 37.99 3a3d s ILE 159 CO 0.32 0.39 1.64 4.11 0.00 0.00 0.00 174.94 181.39 3a3d h TRP 160 N 4.73 0.52 0.00 3.97 5.08 -2.02 -3.06 115.95 125.17 3a3d h TRP 160 Ca -0.44 -0.15 0.00 0.00 1.08 0.00 0.00 58.89 59.38 3a3d h TRP 160 Cb 1.21 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3a3d h TRP 160 CO 0.62 0.78 -0.03 0.27 -1.28 0.00 0.00 178.44 178.79 3a3d n ASN 161 N -4.03 0.52 -0.16 0.11 6.94 -1.26 -1.95 115.26 115.42 3a3d n ASN 161 Ca -0.01 0.52 0.13 0.00 -0.02 0.00 0.00 54.58 55.20 3a3d n ASN 161 Cb 0.50 -0.64 0.47 0.00 -2.36 0.00 0.00 39.78 37.75 3a3d n ASN 161 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3a3d n ASP 162 N -1.97 0.72 0.04 0.53 8.00 -1.16 -4.32 116.55 118.39 3a3d n ASP 162 Ca 0.06 -0.66 0.08 0.00 0.71 0.00 0.00 54.79 54.98 3a3d n ASP 162 Cb 0.40 0.04 0.36 0.00 -0.02 0.00 0.00 41.12 41.89 3a3d n ASP 162 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a3d n LEU 163 N -0.87 0.19 -0.11 0.64 4.77 -0.82 -0.95 117.00 119.84 3a3d n LEU 163 Ca 0.12 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 3a3d n LEU 163 Cb 0.32 -0.52 0.30 0.00 -2.33 0.00 0.00 43.42 41.18 3a3d n LEU 163 CO 0.26 -0.35 0.53 0.35 -1.33 0.00 0.00 177.39 176.85 3a3d n THR 164 N -1.71 0.00 -3.10 -5.08 -2.24 -1.26 -4.68 114.28 96.21 3a3d n THR 164 Ca 0.03 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 3a3d n THR 164 Cb 0.18 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 3a3d n THR 164 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3a3d s MET 165 N -2.78 4.32 0.28 -0.78 -1.94 -0.13 -0.56 119.30 117.71 3a3d s MET 165 Ca 0.17 0.92 0.00 0.00 -1.71 0.00 0.00 55.69 55.07 3a3d s MET 165 Cb 0.18 -3.03 0.51 0.00 2.01 0.00 0.00 34.83 34.50 3a3d s MET 165 CO 0.63 0.48 1.87 0.00 -0.01 0.00 0.00 175.02 177.98 3a3d h PHE 167 N 1.06 0.00 -0.53 0.00 -5.15 -1.91 -0.98 116.94 109.43 3a3d h PHE 167 Ca 0.46 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.98 3a3d h PHE 167 Cb 0.34 0.00 -0.15 0.00 0.22 0.00 0.00 35.95 36.36 3a3d h PHE 167 CO -0.00 0.00 0.14 -1.71 -2.00 0.00 0.00 178.31 174.73 3a3d n ASN 168 N -3.97 3.10 -4.74 -0.68 5.15 -0.18 -4.70 115.26 109.24 3a3d n ASN 168 Ca -0.02 -3.62 -0.33 0.00 -0.60 0.00 0.00 54.58 50.00 3a3d n ASN 168 Cb 0.12 -0.69 0.08 0.00 -0.53 0.00 0.00 39.78 38.76 3a3d n ASN 168 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3a3d s SER 169 N -2.06 4.55 0.10 1.20 0.01 -0.37 -4.84 113.70 112.28 3a3d s SER 169 Ca 0.48 2.16 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 3a3d s SER 169 Cb 0.42 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 64.02 3a3d s SER 169 CO 0.04 -2.02 1.10 -2.16 0.41 0.00 0.00 173.24 170.62 3a3d s PRO 170 N -4.07 4.54 -1.56 12.44 0.04 -1.26 -4.82 135.00 140.31 3a3d s PRO 170 Ca 0.70 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.29 3a3d s PRO 170 Cb -0.24 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 3a3d s PRO 170 CO 0.45 -0.04 2.77 -0.35 0.04 0.00 0.00 177.00 179.86 3a3d n PRO 171 N 3.20 3.66 -2.30 0.56 -0.04 -1.25 -4.91 135.00 133.93 3a3d n PRO 171 Ca 0.05 -2.43 -0.25 0.00 -0.04 0.00 0.00 63.50 60.83 3a3d n PRO 171 Cb 0.47 -2.86 0.09 0.00 -0.04 0.00 0.00 33.50 31.16 3a3d n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3d s ALA 172 N 1.95 3.23 0.13 0.55 0.00 -1.26 -4.66 121.76 121.70 3a3d s ALA 172 Ca 0.64 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 3a3d s ALA 172 Cb 0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3a3d s ALA 172 CO -0.07 -1.46 1.78 0.00 0.00 0.00 0.00 175.76 176.01 3a3d h ALA 173 N -0.67 0.37 -2.17 0.00 0.00 -1.89 -3.38 119.26 111.51 3a3d h ALA 173 Ca -0.42 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.86 3a3d h ALA 173 Cb 1.29 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3a3d h ALA 173 CO 0.51 -0.14 0.51 0.00 0.00 0.00 0.00 179.25 180.13 3a3d s ALA 174 N -6.09 3.53 -0.21 0.00 0.00 -1.26 -0.71 121.76 117.01 3a3d s ALA 174 Ca -0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3a3d s ALA 174 Cb 0.09 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.90 3a3d s ALA 174 CO 0.71 -1.27 0.15 1.21 0.00 0.00 0.00 175.76 176.56 3a3d s ASN 175 N 1.62 2.23 -0.11 0.00 3.84 -1.26 -4.82 114.94 116.44 3a3d s ASN 175 Ca 0.36 -0.64 0.03 0.00 0.21 0.00 0.00 52.86 52.82 3a3d s ASN 175 Cb -0.14 -0.02 0.01 0.00 -0.55 0.00 0.00 41.25 40.55 3a3d s ASN 175 CO 0.13 -0.36 -0.22 -0.63 -2.79 0.00 0.00 177.10 173.23 3a3d s ILE 176 N 2.20 1.97 -1.40 -5.21 1.01 -1.26 -4.24 121.20 114.27 3a3d s ILE 176 Ca 0.05 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3a3d s ILE 176 Cb -0.16 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.59 3a3d s ILE 176 CO -0.17 0.54 0.36 0.47 0.00 0.00 0.00 174.94 176.13 3a3d n ASP 177 N 3.78 -0.89 -1.48 3.58 8.00 -0.26 -1.48 116.55 127.80 3a3d n ASP 177 Ca -0.20 -1.13 -0.19 0.00 0.71 0.00 0.00 54.79 53.98 3a3d n ASP 177 Cb 0.52 -2.46 -0.08 0.00 -0.02 0.00 0.00 41.12 39.09 3a3d n ASP 177 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3d n ASN 178 N -2.82 -5.29 -3.93 -2.24 3.02 -1.26 -2.37 115.26 100.37 3a3d n ASN 178 Ca -0.27 0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 3a3d n ASN 178 Cb 0.67 -4.45 0.02 0.00 -0.61 0.00 0.00 39.78 35.41 3a3d n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3d n ASN 179 N -1.08 -4.39 -4.13 6.41 3.02 -0.55 -4.80 115.26 109.74 3a3d n ASN 179 Ca -0.19 -0.80 -0.18 0.00 -0.03 0.00 0.00 54.58 53.38 3a3d n ASN 179 Cb 0.62 -3.79 -0.12 0.00 -0.61 0.00 0.00 39.78 35.88 3a3d n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a3d s PHE 181 N -1.11 0.52 0.08 0.00 -0.12 -0.07 -4.90 117.98 112.39 3a3d s PHE 181 Ca -0.02 -0.92 0.08 0.00 -0.05 0.00 0.00 56.93 56.02 3a3d s PHE 181 Cb -0.09 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3a3d s PHE 181 CO 0.01 -0.59 -0.19 -0.47 -0.05 0.00 0.00 175.22 173.93 3a3d s TYR 182 N -3.97 2.51 0.15 3.49 5.04 -1.26 -0.42 117.35 122.89 3a3d s TYR 182 Ca 0.16 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.47 3a3d s TYR 182 Cb 0.05 -1.39 -0.03 0.00 0.35 0.00 0.00 41.96 40.95 3a3d s TYR 182 CO -0.02 0.31 0.16 0.00 -1.34 0.00 0.00 175.55 174.66 3a3d s ALA 183 N -1.02 0.51 0.01 3.97 0.00 -0.11 -4.31 121.76 120.82 3a3d s ALA 183 Ca 0.16 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.92 3a3d s ALA 183 Cb -0.10 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3a3d s ALA 183 CO 0.07 -0.56 -0.12 -2.00 0.00 0.00 0.00 175.76 173.15 3a3d s GLU 184 N -4.02 0.92 -0.16 0.00 2.12 0.19 -0.51 118.70 117.24 3a3d s GLU 184 Ca 0.22 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 3a3d s GLU 184 Cb 0.06 -0.89 -0.02 0.00 0.26 0.00 0.00 34.13 33.53 3a3d s GLU 184 CO 0.02 0.23 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.41 3a3d s LEU 185 N -0.71 3.17 -0.44 2.70 1.43 0.01 -0.61 118.68 124.22 3a3d s LEU 185 Ca 0.02 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3a3d s LEU 185 Cb -0.06 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.44 3a3d s LEU 185 CO 0.00 0.16 0.36 -0.62 0.23 0.00 0.00 176.35 176.48 3a3d s ASP 186 N 0.41 6.14 -0.19 2.29 2.15 0.51 -1.88 116.67 126.11 3a3d s ASP 186 Ca -0.05 -1.08 0.15 0.00 0.43 0.00 0.00 52.55 52.00 3a3d s ASP 186 Cb -0.14 -2.18 0.42 0.00 -0.30 0.00 0.00 42.92 40.71 3a3d s ASP 186 CO 0.03 -0.56 1.29 0.00 -0.17 0.00 0.00 175.17 175.76 3a3d n ALA 187 N 5.23 3.10 -2.43 3.66 0.00 -1.26 -2.11 120.51 126.71 3a3d n ALA 187 Ca -0.11 -2.78 -0.43 0.00 0.00 0.00 0.00 53.44 50.12 3a3d n ALA 187 Cb 0.45 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.38 3a3d n ALA 187 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a3d n ASN 188 N -1.09 5.24 -3.97 0.00 2.85 -1.24 -1.33 115.26 115.71 3a3d n ASN 188 Ca 0.21 -3.14 -0.10 0.00 -0.11 0.00 0.00 54.58 51.44 3a3d n ASN 188 Cb 0.79 -1.46 -0.07 0.00 1.24 0.00 0.00 39.78 40.29 3a3d n ASN 188 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3a3d s LYS 189 N 0.05 1.26 0.61 1.20 1.02 -1.26 -5.01 119.74 117.61 3a3d s LYS 189 Ca 0.39 -1.21 -0.17 0.00 0.02 0.00 0.00 55.97 55.00 3a3d s LYS 189 Cb 0.09 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.77 3a3d s LYS 189 CO 0.02 -0.48 1.12 -0.80 -0.92 0.00 0.00 175.35 174.28 3a3d s ASN 190 N -2.99 5.37 0.16 2.83 0.01 -1.26 -4.74 114.94 114.32 3a3d s ASN 190 Ca 0.20 2.06 -0.32 0.00 -0.71 0.00 0.00 52.86 54.09 3a3d s ASN 190 Cb 0.02 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.96 3a3d s ASN 190 CO 0.03 -1.46 0.94 -2.65 -1.51 0.00 0.00 177.10 172.46 3a3d n PRO 191 N -1.96 0.64 0.00 -0.60 -0.02 -1.26 -1.38 135.00 130.41 3a3d n PRO 191 Ca 0.11 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3a3d n PRO 191 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3a3d n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a3d n GLY 192 N 1.82 3.31 3.86 -1.23 0.00 0.37 -4.96 105.19 108.36 3a3d n GLY 192 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3a3d n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3d s GLU 193 N -0.66 3.81 -0.06 1.61 0.41 -0.48 -4.75 118.70 118.58 3a3d s GLU 193 Ca 0.00 0.75 -0.25 0.00 -0.41 0.00 0.00 54.97 55.06 3a3d s GLU 193 Cb 0.00 -2.20 -0.03 0.00 -1.78 0.00 0.00 34.13 30.12 3a3d s GLU 193 CO 0.00 -0.28 0.78 0.42 -0.49 0.00 0.00 175.26 175.69 3a3d s ILE 194 N -2.69 4.99 0.26 -1.63 -1.09 -1.26 -1.05 121.20 118.73 3a3d s ILE 194 Ca 0.56 1.60 -0.30 0.00 -2.23 0.00 0.00 60.65 60.28 3a3d s ILE 194 Cb -0.10 -4.11 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 3a3d s ILE 194 CO 0.37 0.21 1.50 -0.69 -1.23 0.00 0.00 174.94 175.10 3a3d s VAL 195 N 0.95 2.45 -0.04 2.92 1.01 0.27 -4.94 120.40 123.02 3a3d s VAL 195 Ca 0.41 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 3a3d s VAL 195 Cb -0.18 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3a3d s VAL 195 CO 0.20 0.06 0.50 -0.75 0.00 0.00 0.00 175.10 175.11 3a3d s LYS 196 N -0.39 4.22 -0.19 2.72 2.47 -0.89 -4.68 119.74 122.99 3a3d s LYS 196 Ca 0.61 0.55 -0.07 0.00 -1.56 0.00 0.00 55.97 55.50 3a3d s LYS 196 Cb -0.44 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 3a3d s LYS 196 CO 0.45 0.40 0.05 0.42 0.16 0.00 0.00 175.35 176.82 3a3d s ILE 197 N -0.19 4.59 -0.25 5.43 1.01 -1.26 -0.36 121.20 130.16 3a3d s ILE 197 Ca 0.27 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.84 3a3d s ILE 197 Cb -0.17 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.29 3a3d s ILE 197 CO 0.14 0.45 -0.07 0.20 0.00 0.00 0.00 174.94 175.65 3a3d s ASN 198 N 0.56 4.15 -0.17 3.58 0.02 0.22 -5.01 114.94 118.28 3a3d s ASN 198 Ca 0.02 -1.32 -0.04 0.00 -1.02 0.00 0.00 52.86 50.50 3a3d s ASN 198 Cb -0.13 -1.35 -0.02 0.00 0.02 0.00 0.00 41.25 39.77 3a3d s ASN 198 CO 0.01 -0.23 -0.04 -0.69 0.02 0.00 0.00 177.10 176.18 3a3d s VAL 199 N 1.25 3.76 0.66 1.60 1.01 -1.26 -0.64 120.40 126.78 3a3d s VAL 199 Ca -0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3a3d s VAL 199 Cb -0.19 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3a3d s VAL 199 CO -0.06 0.47 1.19 -2.65 0.00 0.00 0.00 175.10 174.05 3a3d n PRO 200 N 3.88 0.93 0.25 2.72 -0.02 -1.26 -4.84 135.00 136.66 3a3d n PRO 200 Ca -0.17 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 3a3d n PRO 200 Cb 0.52 -2.43 0.51 0.00 -0.02 0.00 0.00 33.50 32.08 3a3d n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3d h ALA 201 N 0.32 0.99 0.00 3.55 0.00 -1.98 -2.74 119.26 119.40 3a3d h ALA 201 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3a3d h ALA 201 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3a3d h ALA 201 CO 0.51 0.10 0.00 -0.56 0.00 0.00 0.00 179.25 179.30 3a3d h GLN 202 N 0.00 0.00 -5.51 0.00 -0.00 -2.02 -3.43 115.11 104.15 3a3d h GLN 202 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 3a3d h GLN 202 Cb 0.70 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.06 3a3d h GLN 202 CO 0.01 0.00 0.16 -0.06 -0.00 0.00 0.00 178.83 178.94 3a3d s PHE 203 N -3.64 3.29 -1.55 0.06 0.08 -1.04 -4.96 117.98 110.22 3a3d s PHE 203 Ca 0.01 0.82 -0.11 0.00 0.12 0.00 0.00 56.93 57.78 3a3d s PHE 203 Cb 0.09 -2.84 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 3a3d s PHE 203 CO 0.51 -0.32 2.71 -0.35 -0.10 0.00 0.00 175.22 177.67 3a3d n PRO 204 N 5.68 3.58 -4.23 0.24 -0.04 -1.26 -4.81 135.00 134.17 3a3d n PRO 204 Ca -0.01 -2.45 -0.13 0.00 -0.04 0.00 0.00 63.50 60.87 3a3d n PRO 204 Cb 0.49 -2.90 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 3a3d n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3a3d s ILE 205 N 2.05 0.31 -0.02 0.52 -5.25 -1.26 -4.89 121.20 112.66 3a3d s ILE 205 Ca 0.62 -1.98 0.04 0.00 -0.99 0.00 0.00 60.65 58.35 3a3d s ILE 205 Cb 0.17 -2.36 -0.01 0.00 2.95 0.00 0.00 42.46 43.21 3a3d s ILE 205 CO -0.07 -0.20 -0.15 -1.10 -1.79 0.00 0.00 174.94 171.63 3a3d s GLN 206 N -4.05 1.29 -0.11 0.37 -0.21 -0.84 -5.04 119.66 111.07 3a3d s GLN 206 Ca 0.32 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.20 3a3d s GLN 206 Cb 0.07 -1.22 0.01 0.00 1.00 0.00 0.00 33.01 32.87 3a3d s GLN 206 CO 0.09 0.30 -0.22 0.08 -2.12 0.00 0.00 175.29 173.41 3a3d s VAL 207 N -0.25 1.98 0.19 1.09 1.01 -1.26 -0.64 120.40 122.52 3a3d s VAL 207 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3a3d s VAL 207 Cb -0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3a3d s VAL 207 CO -0.00 0.54 0.08 0.72 0.00 0.00 0.00 175.10 176.44 3a3d s PHE 208 N 0.57 1.18 0.00 5.22 -0.12 -0.11 -4.98 117.98 119.73 3a3d s PHE 208 Ca -0.14 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.52 3a3d s PHE 208 Cb -0.17 -0.65 0.00 0.00 -0.63 0.00 0.00 43.02 41.58 3a3d s PHE 208 CO 0.04 -0.45 0.00 0.41 -0.05 0.00 0.00 175.22 175.17 3a3d n GLY 209 N -0.26 2.96 2.95 1.99 0.00 -1.26 -0.59 105.19 110.97 3a3d n GLY 209 Ca -0.02 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 3a3d n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a3d s GLN 210 N -1.93 2.13 0.00 1.61 -1.52 -1.25 -4.93 119.66 113.77 3a3d s GLN 210 Ca 0.00 -2.79 -0.15 0.00 -1.95 0.00 0.00 55.36 50.46 3a3d s GLN 210 Cb 0.00 -3.37 -0.06 0.00 -0.22 0.00 0.00 33.01 29.36 3a3d s GLN 210 CO 0.00 -1.15 0.43 0.08 -0.25 0.00 0.00 175.29 174.40 3a3d s VAL 211 N -0.55 5.00 0.16 1.09 1.01 -1.26 -4.53 120.40 121.32 3a3d s VAL 211 Ca 0.19 0.89 0.09 0.00 0.00 0.00 0.00 61.98 63.15 3a3d s VAL 211 Cb -0.21 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3a3d s VAL 211 CO -0.04 0.56 -0.14 -0.72 0.00 0.00 0.00 175.10 174.77 3a3d s TYR 212 N -0.99 2.56 0.12 5.22 -0.85 -0.93 -0.56 117.35 121.93 3a3d s TYR 212 Ca 0.24 -0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.24 3a3d s TYR 212 Cb -0.17 -1.28 -0.06 0.00 0.38 0.00 0.00 41.96 40.82 3a3d s TYR 212 CO 0.14 0.48 1.09 0.08 -1.52 0.00 0.00 175.55 175.81 3a3d s VAL 213 N -1.54 4.12 0.06 -3.49 1.01 -0.21 -2.38 120.40 117.97 3a3d s VAL 213 Ca 0.22 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.92 3a3d s VAL 213 Cb -0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3a3d s VAL 213 CO 0.13 0.23 0.16 0.00 0.00 0.00 0.00 175.10 175.63 3a3d s ALA 214 N 0.24 3.86 0.97 5.51 0.00 -0.26 -0.48 121.76 131.59 3a3d s ALA 214 Ca 0.51 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3a3d s ALA 214 Cb -0.27 -1.70 0.17 0.00 0.00 0.00 0.00 23.12 21.32 3a3d s ALA 214 CO 0.32 0.80 1.10 0.16 0.00 0.00 0.00 175.76 178.14 3a3d s ASP 215 N -2.44 2.89 0.54 0.00 1.47 -1.26 -3.90 116.67 113.97 3a3d s ASP 215 Ca 0.33 1.17 0.25 0.00 1.18 0.00 0.00 52.55 55.48 3a3d s ASP 215 Cb -0.13 -1.82 1.51 0.00 -0.34 0.00 0.00 42.92 42.14 3a3d s ASP 215 CO 0.25 -2.96 2.14 0.77 0.68 0.00 0.00 175.17 176.05 3a3d h SER 216 N -1.78 0.00 -0.02 2.11 4.64 -1.99 0.24 113.55 116.74 3a3d h SER 216 Ca -0.53 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.68 3a3d h SER 216 Cb 1.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3a3d h SER 216 CO 0.58 0.08 -0.39 0.78 -0.87 0.00 0.00 176.83 177.00 3a3d h ASN 217 N 0.00 0.39 0.41 4.97 2.35 -2.05 -3.34 115.58 118.30 3a3d h ASN 217 Ca -0.00 -0.73 -0.19 0.00 -0.55 0.00 0.00 56.30 54.83 3a3d h ASN 217 Cb 0.18 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3a3d h ASN 217 CO 0.01 1.06 -0.80 -0.08 -1.65 0.00 0.00 177.43 175.97 3a3d h GLU 218 N -0.25 0.30 -0.97 0.81 4.81 -1.82 -3.37 114.58 114.10 3a3d h GLU 218 Ca -0.04 -0.28 0.27 0.00 -0.13 0.00 0.00 59.36 59.17 3a3d h GLU 218 Cb 1.10 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.41 3a3d h GLU 218 CO 0.08 0.95 0.51 0.00 -0.73 0.00 0.00 179.01 179.82 3a3d h ALA 219 N 0.96 1.72 0.00 2.92 0.00 -0.66 0.35 119.26 124.54 3a3d h ALA 219 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3a3d h ALA 219 Cb 1.39 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3a3d h ALA 219 CO 0.13 -0.41 -0.03 -1.35 0.00 0.00 0.00 179.25 177.59 3a3d h PRO 220 N 0.42 0.00 -0.00 0.00 0.11 -1.76 -2.34 132.00 128.43 3a3d h PRO 220 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 3a3d h PRO 220 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3a3d h PRO 220 CO -0.55 0.03 -0.35 0.66 -0.21 0.00 0.00 178.00 177.59 3a3d n TYR 221 N -3.39 0.00 -1.65 0.65 4.01 0.12 -4.98 117.16 111.92 3a3d n TYR 221 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 3a3d n TYR 221 Cb 0.15 -0.32 0.05 0.00 -0.31 0.00 0.00 39.34 38.92 3a3d n TYR 221 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a3d s GLN 223 N -4.36 0.48 -0.32 0.00 -1.52 -1.26 -4.95 119.66 107.73 3a3d s GLN 223 Ca 0.64 -0.14 -0.09 0.00 -1.95 0.00 0.00 55.36 53.82 3a3d s GLN 223 Cb -0.19 -0.49 0.00 0.00 -0.22 0.00 0.00 33.01 32.11 3a3d s GLN 223 CO 0.46 0.05 0.15 -1.17 -0.25 0.00 0.00 175.29 174.53 3a3d s LEU 224 N 0.18 4.18 0.29 2.90 2.96 -1.25 -2.56 118.68 125.38 3a3d s LEU 224 Ca -0.02 -0.63 0.10 0.00 -0.22 0.00 0.00 54.13 53.35 3a3d s LEU 224 Cb -0.06 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3a3d s LEU 224 CO -0.00 -0.23 -0.00 -1.81 -1.32 0.00 0.00 176.35 172.99 3a3d s ASP 225 N 1.59 4.41 0.03 3.68 1.01 0.10 -4.97 116.67 122.51 3a3d s ASP 225 Ca 0.04 -0.76 0.06 0.00 0.71 0.00 0.00 52.55 52.60 3a3d s ASP 225 Cb -0.17 -0.73 -0.02 0.00 1.01 0.00 0.00 42.92 43.01 3a3d s ASP 225 CO 0.06 -0.07 -0.17 0.54 0.21 0.00 0.00 175.17 175.73 3a3d s VAL 226 N -2.39 1.38 -0.08 -1.27 0.11 -1.26 -1.08 120.40 115.82 3a3d s VAL 226 Ca 0.33 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 3a3d s VAL 226 Cb -0.05 -1.20 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3a3d s VAL 226 CO 0.20 0.18 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.27 3a3d s VAL 227 N -0.70 1.65 -0.10 2.04 1.01 0.47 -4.96 120.40 119.81 3a3d s VAL 227 Ca 0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 3a3d s VAL 227 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3a3d s VAL 227 CO 0.01 0.47 0.52 -0.69 0.00 0.00 0.00 175.10 175.41 3a3d s VAL 228 N 0.45 5.14 0.42 2.92 1.01 -1.26 -0.52 120.40 128.55 3a3d s VAL 228 Ca -0.16 1.06 0.07 0.00 0.00 0.00 0.00 61.98 62.95 3a3d s VAL 228 Cb -0.17 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3a3d s VAL 228 CO 0.06 0.33 0.20 -1.00 0.00 0.00 0.00 175.10 174.69 3a3d s HIS 229 N 0.53 2.58 0.63 5.22 3.76 0.25 -4.98 115.29 123.29 3a3d s HIS 229 Ca 0.28 -0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 3a3d s HIS 229 Cb -0.16 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 3a3d s HIS 229 CO 0.12 0.14 1.17 -0.25 -0.85 0.00 0.00 174.74 175.07 3a3d n ASP 230 N -1.28 1.57 -3.08 1.40 8.00 -1.26 -3.21 116.55 118.69 3a3d n ASP 230 Ca -0.01 0.82 -0.17 0.00 0.71 0.00 0.00 54.79 56.13 3a3d n ASP 230 Cb 0.64 -1.49 0.07 0.00 -0.02 0.00 0.00 41.12 40.32 3a3d n ASP 230 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3d n ASN 231 N -1.49 -3.94 -3.61 -2.24 3.02 -1.26 -3.41 115.26 102.32 3a3d n ASN 231 Ca 0.15 -0.49 -0.21 0.00 -0.03 0.00 0.00 54.58 54.01 3a3d n ASN 231 Cb 0.48 -4.36 0.06 0.00 -0.61 0.00 0.00 39.78 35.35 3a3d n ASN 231 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3d n ASN 232 N -2.54 -2.36 -4.30 6.41 5.03 -1.24 -4.81 115.26 111.45 3a3d n ASN 232 Ca -0.11 -0.71 -0.35 0.00 0.87 0.00 0.00 54.58 54.28 3a3d n ASN 232 Cb 0.60 -4.54 -0.14 0.00 -1.02 0.00 0.00 39.78 34.68 3a3d n ASN 232 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3a3d s ARG 233 N -5.84 3.35 -0.19 3.52 0.52 -1.20 -1.99 118.95 117.12 3a3d s ARG 233 Ca 0.12 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.66 3a3d s ARG 233 Cb -0.06 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3a3d s ARG 233 CO 0.77 -0.17 -0.07 0.71 0.02 0.00 0.00 175.30 176.57 3a3d s TYR 234 N 1.38 2.93 -0.26 -0.53 2.02 0.19 -0.59 117.35 122.49 3a3d s TYR 234 Ca 0.05 -0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 55.77 3a3d s TYR 234 Cb -0.14 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 3a3d s TYR 234 CO -0.03 -0.45 0.21 -1.14 -1.57 0.00 0.00 175.55 172.57 3a3d s GLN 235 N 1.15 4.02 0.05 -0.62 0.74 0.32 -0.94 119.66 124.37 3a3d s GLN 235 Ca 0.02 -0.23 -0.13 0.00 0.05 0.00 0.00 55.36 55.06 3a3d s GLN 235 Cb -0.14 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.30 3a3d s GLN 235 CO -0.01 -0.09 0.43 0.14 -0.55 0.00 0.00 175.29 175.20 3a3d s VAL 236 N 1.49 5.02 0.03 1.34 -7.23 0.24 -0.39 120.40 120.90 3a3d s VAL 236 Ca 0.09 0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 60.91 3a3d s VAL 236 Cb -0.15 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 3a3d s VAL 236 CO 0.08 0.44 0.13 -0.54 -0.31 0.00 0.00 175.10 174.90 3a3d s LYS 237 N -1.46 0.60 0.00 4.82 1.02 -0.24 -3.75 119.74 120.73 3a3d s LYS 237 Ca 0.29 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3a3d s LYS 237 Cb -0.16 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 3a3d s LYS 237 CO 0.16 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 3a3d n GLY 238 N 0.84 0.18 3.60 -3.33 0.00 -1.26 -0.72 105.19 104.50 3a3d n GLY 238 Ca -0.19 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 3a3d n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3d s LEU 240 N -2.98 0.14 0.77 0.00 2.34 -1.00 -3.90 118.68 114.06 3a3d s LEU 240 Ca 0.18 -0.32 -0.13 0.00 0.06 0.00 0.00 54.13 53.92 3a3d s LEU 240 Cb -0.01 2.05 0.06 0.00 -0.56 0.00 0.00 46.19 47.74 3a3d s LEU 240 CO 0.06 -0.93 1.16 0.00 -1.06 0.00 0.00 176.35 175.58 3a3d s ALA 241 N -3.82 2.02 0.31 1.48 0.00 -1.26 -1.11 121.76 119.38 3a3d s ALA 241 Ca 0.05 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 3a3d s ALA 241 Cb 0.01 -3.42 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3a3d s ALA 241 CO -0.09 -2.01 1.08 -2.13 0.00 0.00 0.00 175.76 172.60 3a3d n ARG 242 N -3.19 1.54 -4.16 0.00 0.63 -1.25 -4.82 116.66 105.41 3a3d n ARG 242 Ca 0.12 0.54 -0.28 0.00 -0.92 0.00 0.00 57.85 57.31 3a3d n ARG 242 Cb 0.51 -1.97 -0.07 0.00 0.45 0.00 0.00 32.46 31.38 3a3d n ARG 242 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3a3d s GLN 243 N -1.66 2.53 -0.11 -0.14 -1.52 -0.45 -5.00 119.66 113.32 3a3d s GLN 243 Ca 0.58 -0.98 0.15 0.00 -1.95 0.00 0.00 55.36 53.16 3a3d s GLN 243 Cb -0.66 -2.47 0.26 0.00 -0.22 0.00 0.00 33.01 29.93 3a3d s GLN 243 CO 0.60 0.49 1.14 0.66 -0.25 0.00 0.00 175.29 177.93 3a3d n TYR 244 N 0.08 0.00 -3.57 0.91 4.01 -1.26 -3.67 117.16 113.65 3a3d n TYR 244 Ca -0.10 -0.89 -0.09 0.00 -0.16 0.00 0.00 57.90 56.66 3a3d n TYR 244 Cb 0.54 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 3a3d n TYR 244 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3a3d s LYS 245 N -2.36 1.30 0.34 -0.72 1.02 -1.26 -5.13 119.74 112.93 3a3d s LYS 245 Ca 0.28 -0.57 -0.28 0.00 0.02 0.00 0.00 55.97 55.41 3a3d s LYS 245 Cb 0.25 0.53 -0.10 0.00 -0.52 0.00 0.00 37.83 37.99 3a3d s LYS 245 CO 0.01 -0.58 1.31 -2.14 -0.92 0.00 0.00 175.35 173.03 3a3d s PRO 246 N -3.62 4.29 -0.51 -1.68 0.02 -1.26 -4.82 135.00 127.41 3a3d s PRO 246 Ca 0.05 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.12 3a3d s PRO 246 Cb -0.02 -3.02 0.07 0.00 0.02 0.00 0.00 34.50 31.55 3a3d s PRO 246 CO -0.06 -0.25 0.56 0.12 -0.33 0.00 0.00 177.00 177.04 3a3d s PHE 247 N -1.16 3.12 0.42 6.54 5.36 -0.79 -4.98 117.98 126.48 3a3d s PHE 247 Ca 0.50 -0.77 -0.24 0.00 -0.96 0.00 0.00 56.93 55.46 3a3d s PHE 247 Cb -0.40 -3.51 -0.08 0.00 -0.34 0.00 0.00 43.02 38.68 3a3d s PHE 247 CO 0.53 -1.00 1.09 0.20 -1.46 0.00 0.00 175.22 174.58 3a3d s GLY 248 N 2.87 2.75 -0.08 13.12 0.00 -1.26 -0.81 107.32 123.90 3a3d s GLY 248 Ca 0.10 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3a3d s GLY 248 CO 0.09 1.22 -0.22 1.08 0.00 0.00 0.00 173.10 175.27 3a3d s LEU 249 N -2.76 2.23 -0.19 0.66 1.43 0.33 -4.89 118.68 115.49 3a3d s LEU 249 Ca 0.60 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3a3d s LEU 249 Cb -0.24 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3a3d s LEU 249 CO 0.30 0.21 -0.18 -0.55 0.23 0.00 0.00 176.35 176.35 3a3d s SER 250 N 0.06 3.30 0.11 2.29 0.15 -1.26 -0.93 113.70 117.41 3a3d s SER 250 Ca -0.09 -0.69 0.10 0.00 0.70 0.00 0.00 55.95 55.97 3a3d s SER 250 Cb -0.15 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 3a3d s SER 250 CO 0.06 -0.02 -0.26 -0.36 1.20 0.00 0.00 173.24 173.86 3a3d s PHE 251 N 1.29 2.34 0.12 3.44 0.08 0.44 -3.38 117.98 122.30 3a3d s PHE 251 Ca 0.04 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 56.44 3a3d s PHE 251 Cb -0.14 -1.30 -0.06 0.00 -0.57 0.00 0.00 43.02 40.95 3a3d s PHE 251 CO -0.12 0.29 0.87 0.00 -0.10 0.00 0.00 175.22 176.16 3a3d s ALA 252 N -1.00 3.32 0.19 5.36 0.00 0.27 -0.89 121.76 129.02 3a3d s ALA 252 Ca 0.14 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 3a3d s ALA 252 Cb -0.10 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 3a3d s ALA 252 CO 0.05 0.08 1.58 0.08 0.00 0.00 0.00 175.76 177.56 3a3d s VAL 253 N -0.35 2.47 -0.22 0.00 1.01 0.25 -4.87 120.40 118.69 3a3d s VAL 253 Ca 0.42 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.75 3a3d s VAL 253 Cb -0.23 -3.22 -0.20 0.00 0.00 0.00 0.00 36.38 32.73 3a3d s VAL 253 CO 0.28 0.03 -0.05 0.00 0.00 0.00 0.00 175.10 175.36 3a3d n GLN 254 N 3.63 0.68 -3.68 2.72 1.13 -1.26 -4.46 117.38 116.14 3a3d n GLN 254 Ca 0.13 0.17 -0.38 0.00 -1.94 0.00 0.00 57.00 54.98 3a3d n GLN 254 Cb 0.38 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.06 3a3d n GLN 254 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3a3d s ASN 255 N -6.60 5.45 0.17 1.08 3.84 -1.26 -4.95 114.94 112.67 3a3d s ASN 255 Ca -0.30 -2.29 0.08 0.00 0.21 0.00 0.00 52.86 50.56 3a3d s ASN 255 Cb 0.08 -1.90 -0.03 0.00 -0.55 0.00 0.00 41.25 38.85 3a3d s ASN 255 CO 0.66 -0.53 1.39 0.71 -2.79 0.00 0.00 177.10 176.53 3a3d h THR 256 N 5.89 1.60 -0.34 -5.21 1.35 -1.89 -2.08 112.91 112.23 3a3d h THR 256 Ca -0.10 -2.99 -0.15 0.00 -0.55 0.00 0.00 66.41 62.62 3a3d h THR 256 Cb 1.02 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 70.06 3a3d h THR 256 CO 0.75 0.85 -0.36 0.44 -0.25 0.00 0.00 175.52 176.95 3a3d h ASP 257 N 0.00 0.91 -0.52 5.36 3.32 -1.92 -1.42 116.42 122.14 3a3d h ASP 257 Ca -0.01 -0.47 0.04 0.00 0.02 0.00 0.00 57.03 56.61 3a3d h ASP 257 Cb 1.55 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 3a3d h ASP 257 CO 0.11 1.20 0.28 0.00 -1.72 0.00 0.00 179.24 179.11 3a3d h ALA 258 N 0.74 0.67 -0.40 3.45 0.00 -1.97 -0.65 119.26 121.10 3a3d h ALA 258 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a3d h ALA 258 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3a3d h ALA 258 CO 0.09 -0.06 0.10 -0.92 0.00 0.00 0.00 179.25 178.46 3a3d h TYR 259 N 0.54 0.67 -0.43 0.00 3.20 -1.30 -0.88 116.97 118.78 3a3d h TYR 259 Ca 0.23 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3a3d h TYR 259 Cb 0.11 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3a3d h TYR 259 CO -0.09 0.64 -0.08 0.00 -1.64 0.00 0.00 178.16 176.99 3a3d h ALA 260 N 0.95 1.05 -0.20 1.82 0.00 -1.07 -1.30 119.26 120.52 3a3d h ALA 260 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3a3d h ALA 260 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3a3d h ALA 260 CO 0.00 0.58 -0.49 0.00 0.00 0.00 0.00 179.25 179.34 3a3d h ALA 261 N 1.22 0.77 -0.43 0.00 0.00 -0.96 0.11 119.26 119.97 3a3d h ALA 261 Ca 0.12 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3a3d h ALA 261 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3a3d h ALA 261 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3a3d h ALA 262 N 1.03 0.57 -0.21 0.00 0.00 -0.72 -2.12 119.26 117.81 3a3d h ALA 262 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3a3d h ALA 262 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3a3d h ALA 262 CO 0.09 0.36 0.04 0.82 0.00 0.00 0.00 179.25 180.56 3a3d h ILE 263 N 0.59 1.22 -0.53 0.00 1.08 -0.84 -1.80 117.51 117.23 3a3d h ILE 263 Ca 0.12 -0.73 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 3a3d h ILE 263 Cb 0.48 1.30 -0.07 0.00 -3.07 0.00 0.00 36.82 35.46 3a3d h ILE 263 CO 0.02 0.23 0.14 0.40 -0.69 0.00 0.00 178.15 178.24 3a3d h ILE 264 N 0.15 0.73 -0.42 -0.67 2.04 -0.68 -0.18 117.51 118.48 3a3d h ILE 264 Ca 0.06 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3a3d h ILE 264 Cb 0.31 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3a3d h ILE 264 CO 0.00 0.05 -0.14 1.56 0.00 0.00 0.00 178.15 179.62 3a3d h GLN 265 N 0.28 0.78 -0.52 2.37 4.20 -1.22 0.11 115.11 121.11 3a3d h GLN 265 Ca 0.27 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3a3d h GLN 265 Cb 0.35 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3a3d h GLN 265 CO -0.32 0.88 0.08 0.00 -0.67 0.00 0.00 178.83 178.80 3a3d h ARG 266 N 0.70 0.83 -0.18 1.46 3.08 -0.64 -1.83 114.38 117.79 3a3d h ARG 266 Ca 0.11 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 3a3d h ARG 266 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3a3d h ARG 266 CO 0.04 0.78 -0.53 1.96 -1.07 0.00 0.00 179.97 181.15 3a3d h GLN 267 N 0.79 0.67 -0.60 0.04 4.20 -0.47 -1.84 115.11 117.89 3a3d h GLN 267 Ca 0.17 -0.49 0.09 0.00 0.06 0.00 0.00 58.65 58.48 3a3d h GLN 267 Cb 0.36 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3a3d h GLN 267 CO 0.01 1.11 0.24 -0.07 -0.67 0.00 0.00 178.83 179.44 3a3d h LEU 268 N 0.36 0.25 -0.44 1.46 3.38 -0.66 0.14 115.31 119.79 3a3d h LEU 268 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3a3d h LEU 268 Cb 1.16 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3a3d h LEU 268 CO 0.11 0.15 0.24 -0.09 0.09 0.00 0.00 178.44 178.95 3a3d h ARG 269 N 0.43 0.61 -0.01 1.13 2.43 -1.15 -1.00 114.38 116.82 3a3d h ARG 269 Ca 0.30 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3a3d h ARG 269 Cb 0.35 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3a3d h ARG 269 CO -0.29 0.49 -0.40 -0.22 -1.51 0.00 0.00 179.97 178.04 3a3d h LYS 270 N 0.58 0.01 0.00 0.20 3.64 -0.79 -0.47 116.57 119.74 3a3d h LYS 270 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3a3d h LYS 270 Cb 0.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3a3d h LYS 270 CO -0.03 0.41 0.00 1.28 -2.27 0.00 0.00 179.45 178.84 3a3d n LEU 271 N -4.06 0.00 -0.56 5.20 4.77 0.45 -4.91 117.00 117.89 3a3d n LEU 271 Ca -0.02 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.25 3a3d n LEU 271 Cb 0.43 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3a3d n LEU 271 CO 0.39 -0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.96 3a3d n GLY 272 N 1.09 0.43 3.51 -0.72 0.00 -0.18 -5.01 105.19 104.30 3a3d n GLY 272 Ca 0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3a3d n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 273 N -2.25 5.17 0.22 -0.61 1.01 -0.43 -4.77 121.20 119.54 3a3d s ILE 273 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3a3d s ILE 273 Cb 0.00 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 3a3d s ILE 273 CO 0.00 -0.21 1.33 -0.70 0.00 0.00 0.00 174.94 175.36 3a3d s GLU 274 N 1.97 4.37 -0.10 2.79 2.12 -0.34 -4.18 118.70 125.32 3a3d s GLU 274 Ca 0.10 2.11 -0.06 0.00 0.36 0.00 0.00 54.97 57.48 3a3d s GLU 274 Cb -0.17 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.09 3a3d s GLU 274 CO 0.12 -0.27 0.25 0.12 -0.54 0.00 0.00 175.26 174.94 3a3d s PHE 275 N -0.02 -0.33 -0.04 5.30 5.36 -1.26 -0.33 117.98 126.66 3a3d s PHE 275 Ca 0.56 0.78 0.05 0.00 -0.96 0.00 0.00 56.93 57.37 3a3d s PHE 275 Cb -0.38 0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.45 3a3d s PHE 275 CO 0.40 -0.22 0.97 0.09 -1.46 0.00 0.00 175.22 175.00 3a3d n ASN 276 N 4.06 0.87 -1.28 6.13 4.13 -1.26 -5.06 115.26 122.85 3a3d n ASN 276 Ca -0.24 -2.16 0.00 0.00 1.68 0.00 0.00 54.58 53.86 3a3d n ASN 276 Cb 0.54 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 3a3d n ASN 276 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a3d n GLY 277 N -0.46 2.56 3.93 7.41 0.00 -1.25 -5.08 105.19 112.29 3a3d n GLY 277 Ca 0.05 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 3a3d n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a3d s LYS 278 N -0.32 3.53 -0.28 1.61 1.02 -1.26 -4.84 119.74 119.19 3a3d s LYS 278 Ca 0.00 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.57 3a3d s LYS 278 Cb 0.00 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3a3d s LYS 278 CO 0.00 0.25 0.36 0.08 -0.92 0.00 0.00 175.35 175.12 3a3d s VAL 279 N -2.12 5.18 -0.09 3.17 1.01 -1.26 -0.89 120.40 125.40 3a3d s VAL 279 Ca 0.40 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3a3d s VAL 279 Cb -0.10 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3a3d s VAL 279 CO 0.32 0.12 -0.09 -0.76 0.00 0.00 0.00 175.10 174.69 3a3d s LEU 280 N 2.06 3.02 -0.58 3.92 1.43 0.22 -4.99 118.68 123.75 3a3d s LEU 280 Ca 0.14 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3a3d s LEU 280 Cb -0.16 -1.66 0.19 0.00 0.03 0.00 0.00 46.19 44.59 3a3d s LEU 280 CO 0.10 0.29 0.50 0.18 0.23 0.00 0.00 176.35 177.66 3a3d n LEU 281 N 2.67 1.91 0.15 1.79 4.77 -1.26 -2.11 117.00 124.93 3a3d n LEU 281 Ca -0.18 -4.97 0.13 0.00 -0.03 0.00 0.00 56.01 50.96 3a3d n LEU 281 Cb 0.53 -0.24 0.53 0.00 -2.33 0.00 0.00 43.42 41.90 3a3d n LEU 281 CO 0.28 1.87 0.87 -0.65 -1.33 0.00 0.00 177.39 178.44 3a3d h PRO 282 N 5.10 0.00 -2.50 3.23 0.11 -1.98 -3.47 132.00 132.49 3a3d h PRO 282 Ca 0.18 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.93 3a3d h PRO 282 Cb 0.79 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3a3d h PRO 282 CO 0.62 0.00 -0.46 1.04 -0.21 0.00 0.00 178.00 178.99 3a3d n GLN 283 N -2.35 -1.43 -3.96 1.05 1.13 -1.26 -5.00 117.38 105.56 3a3d n GLN 283 Ca 0.02 0.88 -0.09 0.00 -1.94 0.00 0.00 57.00 55.86 3a3d n GLN 283 Cb 0.22 -5.37 -0.07 0.00 0.11 0.00 0.00 30.24 25.12 3a3d n GLN 283 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3a3d s LYS 284 N -4.85 1.02 0.48 -1.09 -2.85 -1.26 -4.95 119.74 106.25 3a3d s LYS 284 Ca 0.00 -1.14 -0.24 0.00 -1.00 0.00 0.00 55.97 53.59 3a3d s LYS 284 Cb 0.00 0.35 -0.07 0.00 -2.06 0.00 0.00 37.83 36.04 3a3d s LYS 284 CO 0.00 -0.35 1.38 -2.14 0.10 0.00 0.00 175.35 174.34 3a3d s PRO 285 N -3.94 3.54 -0.25 1.78 0.02 -1.26 -4.72 135.00 130.16 3a3d s PRO 285 Ca 0.14 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.42 3a3d s PRO 285 Cb 0.04 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 32.06 3a3d s PRO 285 CO -0.03 -0.89 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.07 3a3d s GLN 286 N -2.59 2.97 0.33 5.54 -1.52 -1.26 -5.10 119.66 118.02 3a3d s GLN 286 Ca 0.64 -0.90 -0.20 0.00 -1.95 0.00 0.00 55.36 52.95 3a3d s GLN 286 Cb -0.41 -3.07 -0.10 0.00 -0.22 0.00 0.00 33.01 29.21 3a3d s GLN 286 CO 0.51 -0.38 0.84 -0.65 -0.25 0.00 0.00 175.29 175.36 3a3d s GLN 287 N 1.38 4.25 0.01 2.91 1.11 -1.26 -5.05 119.66 123.02 3a3d s GLN 287 Ca 0.02 0.98 -0.28 0.00 0.01 0.00 0.00 55.36 56.09 3a3d s GLN 287 Cb -0.16 -2.56 0.10 0.00 -1.01 0.00 0.00 33.01 29.37 3a3d s GLN 287 CO -0.03 0.20 1.25 0.20 0.01 0.00 0.00 175.29 176.92 3a3d s GLY 288 N -1.95 -0.16 0.06 3.09 0.00 -1.26 -4.73 107.32 102.37 3a3d s GLY 288 Ca 0.52 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 3a3d s GLY 288 CO 0.19 3.84 1.15 -0.86 0.00 0.00 0.00 173.10 177.41 3a3d s GLN 289 N -2.15 4.47 -0.08 2.90 -2.07 0.96 -4.76 119.66 118.93 3a3d s GLN 289 Ca 0.25 1.71 -0.29 0.00 -1.82 0.00 0.00 55.36 55.20 3a3d s GLN 289 Cb 0.00 -3.36 -0.06 0.00 -1.09 0.00 0.00 33.01 28.51 3a3d s GLN 289 CO -0.01 -0.19 1.84 -1.17 -1.32 0.00 0.00 175.29 174.45 3a3d s LEU 290 N 0.89 4.14 -0.11 2.60 2.96 -1.26 -1.80 118.68 126.10 3a3d s LEU 290 Ca 0.57 2.22 -0.05 0.00 -0.22 0.00 0.00 54.13 56.65 3a3d s LEU 290 Cb -0.28 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.62 3a3d s LEU 290 CO 0.30 -1.19 0.41 0.18 -1.32 0.00 0.00 176.35 174.72 3a3d n LEU 291 N 8.23 2.43 -3.61 -0.68 4.77 0.31 -4.98 117.00 123.46 3a3d n LEU 291 Ca 0.20 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 3a3d n LEU 291 Cb 0.43 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3a3d n LEU 291 CO 0.65 0.80 0.80 0.00 -1.33 0.00 0.00 177.39 178.31 3a3d s ALA 292 N -2.56 -1.98 -0.04 -1.18 0.00 -1.09 -4.98 121.76 109.93 3a3d s ALA 292 Ca -0.20 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3a3d s ALA 292 Cb 0.07 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3a3d s ALA 292 CO 0.78 -0.26 -0.02 0.21 0.00 0.00 0.00 175.76 176.47 3a3d s LYS 293 N -0.41 0.57 -0.16 0.00 2.20 -1.26 -0.52 119.74 120.16 3a3d s LYS 293 Ca 0.01 0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 3a3d s LYS 293 Cb -0.03 -0.71 -0.05 0.00 -1.51 0.00 0.00 37.83 35.54 3a3d s LYS 293 CO -0.03 -0.14 0.21 -1.58 -0.36 0.00 0.00 175.35 173.45 3a3d s HIS 294 N 1.12 3.48 -0.15 4.03 5.65 0.76 -4.95 115.29 125.23 3a3d s HIS 294 Ca -0.08 0.51 -0.04 0.00 0.25 0.00 0.00 55.06 55.70 3a3d s HIS 294 Cb -0.14 -2.20 -0.03 0.00 -1.18 0.00 0.00 32.58 29.04 3a3d s HIS 294 CO -0.01 0.37 -0.03 -0.51 -0.65 0.00 0.00 174.74 173.91 3a3d s LEU 295 N 0.06 3.27 1.24 8.88 1.43 -1.26 -1.50 118.68 130.79 3a3d s LEU 295 Ca 0.13 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 3a3d s LEU 295 Cb -0.12 -1.79 0.31 0.00 0.03 0.00 0.00 46.19 44.62 3a3d s LEU 295 CO 0.02 0.17 1.00 -0.94 0.23 0.00 0.00 176.35 176.84 3a3d s SER 296 N 0.34 0.40 0.73 2.29 1.04 -0.24 -4.97 113.70 113.29 3a3d s SER 296 Ca -0.04 1.22 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 3a3d s SER 296 Cb -0.14 -1.86 0.04 0.00 0.10 0.00 0.00 66.02 64.15 3a3d s SER 296 CO 0.03 -4.52 1.23 -0.54 0.98 0.00 0.00 173.24 170.42 3a3d s LYS 297 N -4.72 2.12 0.88 4.02 1.02 -1.26 -4.64 119.74 117.15 3a3d s LYS 297 Ca 0.68 1.84 -0.12 0.00 0.02 0.00 0.00 55.97 58.39 3a3d s LYS 297 Cb -0.20 -1.82 0.12 0.00 -0.52 0.00 0.00 37.83 35.40 3a3d s LYS 297 CO 0.62 -1.87 1.17 -1.25 -0.92 0.00 0.00 175.35 173.09 3a3d s PRO 298 N -3.83 1.42 0.28 -1.68 0.04 -1.26 -4.60 135.00 125.37 3a3d s PRO 298 Ca 0.76 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.99 3a3d s PRO 298 Cb -0.31 -1.88 0.64 0.00 0.04 0.00 0.00 34.50 32.98 3a3d s PRO 298 CO 0.45 -1.98 1.73 1.25 0.04 0.00 0.00 177.00 178.49 3a3d h LEU 299 N -1.34 0.47 -1.41 -3.56 5.85 -1.04 -0.81 115.31 113.47 3a3d h LEU 299 Ca -0.48 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3a3d h LEU 299 Cb 1.33 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3a3d h LEU 299 CO 0.62 0.13 0.04 -0.65 -0.34 0.00 0.00 178.44 178.24 3a3d h PRO 300 N 0.54 0.43 -0.40 5.25 0.11 -1.89 0.17 132.00 136.21 3a3d h PRO 300 Ca 0.52 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.40 3a3d h PRO 300 Cb 0.86 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3a3d h PRO 300 CO -0.43 0.43 -0.36 -0.44 -0.21 0.00 0.00 178.00 176.98 3a3d h ASP 301 N 0.43 1.01 -0.34 -2.05 3.32 -1.50 -1.07 116.42 116.22 3a3d h ASP 301 Ca 0.10 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3a3d h ASP 301 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3a3d h ASP 301 CO 0.00 1.26 0.20 -0.07 -1.72 0.00 0.00 179.24 178.91 3a3d h LEU 302 N 0.78 0.42 -0.74 1.55 3.38 -1.05 -2.03 115.31 117.62 3a3d h LEU 302 Ca 0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3a3d h LEU 302 Cb 0.96 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3a3d h LEU 302 CO 0.09 0.36 -0.38 -0.07 0.09 0.00 0.00 178.44 178.53 3a3d h LEU 303 N 0.44 0.54 -0.45 1.67 3.38 -0.58 0.43 115.31 120.73 3a3d h LEU 303 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3a3d h LEU 303 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3a3d h LEU 303 CO -0.02 0.87 0.21 0.50 0.09 0.00 0.00 178.44 180.08 3a3d h LYS 304 N 0.43 0.65 -0.49 1.13 3.64 -0.98 0.20 116.57 121.14 3a3d h LYS 304 Ca 0.04 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3a3d h LYS 304 Cb 0.86 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3a3d h LYS 304 CO 0.07 0.57 0.03 -0.22 -2.27 0.00 0.00 179.45 177.63 3a3d h LYS 305 N 0.58 0.85 -0.46 1.90 3.64 -1.17 0.29 116.57 122.20 3a3d h LYS 305 Ca 0.15 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3a3d h LYS 305 Cb 0.14 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3a3d h LYS 305 CO -0.02 0.87 0.29 1.98 -2.27 0.00 0.00 179.45 180.31 3a3d h MET 306 N 0.71 0.58 -0.04 1.90 4.05 -0.61 -1.87 114.93 119.65 3a3d h MET 306 Ca 0.14 -0.03 -0.23 0.00 -0.28 0.00 0.00 59.70 59.30 3a3d h MET 306 Cb 0.47 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3a3d h MET 306 CO 0.02 0.38 -0.90 0.52 0.23 0.00 0.00 176.91 177.16 3a3d h MET 307 N 0.59 0.55 -0.13 0.39 2.86 -0.84 -0.27 114.93 118.08 3a3d h MET 307 Ca 0.17 -0.54 -0.11 0.00 -2.06 0.00 0.00 59.70 57.17 3a3d h MET 307 Cb -0.04 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3a3d h MET 307 CO -0.05 1.16 -0.34 0.87 1.06 0.00 0.00 176.91 179.61 3a3d h LYS 308 N 0.34 0.46 -0.01 1.72 1.79 -0.90 -3.35 116.57 116.62 3a3d h LYS 308 Ca -0.08 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3a3d h LYS 308 Cb 1.53 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 3a3d h LYS 308 CO 0.17 0.94 -0.59 1.63 -1.08 0.00 0.00 179.45 180.52 3a3d n LYS 309 N -4.36 1.38 -2.98 3.15 5.02 -0.71 -1.67 118.16 117.98 3a3d n LYS 309 Ca -0.07 -0.48 -0.13 0.00 -2.02 0.00 0.00 58.31 55.61 3a3d n LYS 309 Cb 0.50 -1.34 0.06 0.00 -0.02 0.00 0.00 35.03 34.23 3a3d n LYS 309 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a3d n SER 310 N -0.69 -4.79 -4.54 4.39 2.88 -0.14 -4.92 113.62 105.81 3a3d n SER 310 Ca 0.06 -0.56 -0.43 0.00 -1.33 0.00 0.00 58.87 56.61 3a3d n SER 310 Cb 0.34 -4.31 -0.05 0.00 -0.75 0.00 0.00 64.21 59.44 3a3d n SER 310 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3a3d s ASP 311 N -3.52 6.42 0.29 -3.46 -1.08 -1.04 -4.91 116.67 109.36 3a3d s ASP 311 Ca 0.28 -0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.22 3a3d s ASP 311 Cb -0.04 -2.40 0.44 0.00 -1.46 0.00 0.00 42.92 39.47 3a3d s ASP 311 CO 0.60 -0.95 1.77 0.78 0.52 0.00 0.00 175.17 177.88 3a3d h ASN 312 N 9.01 0.55 0.06 -0.34 2.35 -1.91 -2.17 115.58 123.14 3a3d h ASN 312 Ca -0.25 -0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 55.14 3a3d h ASN 312 Cb 1.08 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.31 3a3d h ASN 312 CO 0.98 0.72 -0.80 1.56 -1.65 0.00 0.00 177.43 178.23 3a3d h GLN 313 N 0.52 0.61 -0.64 0.81 7.50 -1.87 -0.83 115.11 121.21 3a3d h GLN 313 Ca 0.09 -0.52 -0.01 0.00 0.50 0.00 0.00 58.65 58.71 3a3d h GLN 313 Cb 0.53 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.15 3a3d h GLN 313 CO 0.03 1.14 0.37 0.82 -1.50 0.00 0.00 178.83 179.70 3a3d h ILE 314 N 0.40 1.20 -0.07 2.54 2.04 -1.85 0.21 117.51 121.98 3a3d h ILE 314 Ca -0.05 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3a3d h ILE 314 Cb 1.41 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3a3d h ILE 314 CO 0.15 0.21 0.05 0.00 0.00 0.00 0.00 178.15 178.56 3a3d h ALA 315 N 1.18 0.09 0.00 1.87 0.00 -1.20 -0.02 119.26 121.18 3a3d h ALA 315 Ca 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3a3d h ALA 315 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3a3d h ALA 315 CO -0.04 -0.41 -0.54 -0.44 0.00 0.00 0.00 179.25 177.82 3a3d h ASP 316 N 0.10 0.00 -0.35 0.00 3.32 -1.09 -0.40 116.42 118.00 3a3d h ASP 316 Ca 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3a3d h ASP 316 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3a3d h ASP 316 CO -0.01 0.54 -0.22 0.28 -1.72 0.00 0.00 179.24 178.12 3a3d h SER 317 N 0.00 0.79 -0.53 6.45 0.02 -0.75 -2.45 113.55 117.07 3a3d h SER 317 Ca -0.01 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 3a3d h SER 317 Cb 1.30 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 3a3d h SER 317 CO 0.07 1.04 0.14 -0.07 -1.14 0.00 0.00 176.83 176.87 3a3d h LEU 318 N 0.54 0.84 -0.39 5.07 3.38 -0.91 0.17 115.31 124.01 3a3d h LEU 318 Ca 0.07 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3a3d h LEU 318 Cb 0.77 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3a3d h LEU 318 CO 0.06 0.82 0.13 0.15 0.09 0.00 0.00 178.44 179.69 3a3d h PHE 319 N 0.86 0.23 0.03 1.13 3.57 -0.94 0.19 116.94 122.01 3a3d h PHE 319 Ca 0.19 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.49 3a3d h PHE 319 Cb 0.31 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3a3d h PHE 319 CO 0.02 0.09 -0.98 0.00 -2.23 0.00 0.00 178.31 175.20 3a3d h ARG 320 N 0.28 0.15 -0.66 1.11 3.08 -1.30 -2.96 114.38 114.08 3a3d h ARG 320 Ca 0.18 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3a3d h ARG 320 Cb 0.16 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3a3d h ARG 320 CO -0.19 1.01 0.40 0.00 -1.07 0.00 0.00 179.97 180.12 3a3d h ALA 321 N 0.91 0.84 -0.49 0.04 0.00 -0.59 0.96 119.26 120.93 3a3d h ALA 321 Ca -0.05 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a3d h ALA 321 Cb 1.67 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3a3d h ALA 321 CO 0.15 0.32 0.14 0.28 0.00 0.00 0.00 179.25 180.14 3a3d h VAL 322 N 0.90 0.78 -0.48 0.00 2.07 -0.62 -1.91 116.25 116.98 3a3d h VAL 322 Ca 0.24 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.52 3a3d h VAL 322 Cb -0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3a3d h VAL 322 CO -0.04 0.05 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 3a3d h ALA 323 N 1.36 0.69 -0.45 1.67 0.00 -1.26 0.26 119.26 121.52 3a3d h ALA 323 Ca 0.24 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3a3d h ALA 323 Cb 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3a3d h ALA 323 CO -0.28 0.68 0.28 0.35 0.00 0.00 0.00 179.25 180.28 3a3d h PHE 324 N 0.85 0.54 0.00 0.00 3.57 -0.62 -0.60 116.94 120.68 3a3d h PHE 324 Ca 0.11 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 3a3d h PHE 324 Cb 0.80 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3a3d h PHE 324 CO 0.05 0.33 -0.62 -0.91 -2.23 0.00 0.00 178.31 174.92 3a3d h ASN 325 N 0.58 0.00 0.27 0.41 4.21 -1.15 -0.17 115.58 119.72 3a3d h ASN 325 Ca 0.17 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.34 3a3d h ASN 325 Cb -0.03 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.19 3a3d h ASN 325 CO -0.06 0.62 -1.59 0.22 -1.29 0.00 0.00 177.43 175.33 3a3d h TYR 326 N 0.00 0.82 -0.00 1.19 3.20 -0.17 -3.33 116.97 118.68 3a3d h TYR 326 Ca -0.01 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 61.27 3a3d h TYR 326 Cb 1.17 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.41 3a3d h TYR 326 CO 0.00 1.59 -0.96 0.66 -1.64 0.00 0.00 178.16 177.81 3a3d n TYR 327 N -3.64 0.00 -3.47 -3.82 4.01 -0.26 -5.01 117.16 104.97 3a3d n TYR 327 Ca -0.20 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.34 3a3d n TYR 327 Cb 1.09 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 40.18 3a3d n TYR 327 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3a3d n LYS 328 N -1.44 -7.12 -3.56 -0.72 4.76 -0.08 -5.00 118.16 105.01 3a3d n LYS 328 Ca 0.04 0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 56.14 3a3d n LYS 328 Cb 0.34 -5.67 -0.04 0.00 -1.84 0.00 0.00 35.03 27.81 3a3d n LYS 328 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3a3d s ARG 329 N -5.95 1.10 0.38 1.97 1.70 -1.20 -5.07 118.95 111.88 3a3d s ARG 329 Ca 0.39 -0.43 -0.26 0.00 -0.47 0.00 0.00 55.73 54.96 3a3d s ARG 329 Cb -0.17 0.50 -0.11 0.00 -0.57 0.00 0.00 34.95 34.59 3a3d s ARG 329 CO 0.68 -0.43 1.15 -2.30 -1.08 0.00 0.00 175.30 173.32 3a3d n PRO 330 N 0.03 1.70 -4.22 3.89 -0.02 -1.26 -4.28 135.00 130.83 3a3d n PRO 330 Ca -0.17 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 3a3d n PRO 330 Cb 0.62 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 3a3d n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3d s ALA 331 N -1.17 2.89 0.61 3.55 0.00 -0.37 -4.71 121.76 122.56 3a3d s ALA 331 Ca 0.60 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3a3d s ALA 331 Cb -0.57 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.02 3a3d s ALA 331 CO 0.59 -0.08 0.84 -1.54 0.00 0.00 0.00 175.76 175.58 3a3d s SER 332 N 0.88 4.91 0.32 0.00 1.04 -1.25 -0.92 113.70 118.67 3a3d s SER 332 Ca -0.01 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.01 3a3d s SER 332 Cb -0.15 -0.20 0.54 0.00 0.10 0.00 0.00 66.02 66.31 3a3d s SER 332 CO 0.01 -1.44 1.94 -0.26 0.98 0.00 0.00 173.24 174.48 3a3d h PHE 333 N -0.07 0.83 -0.64 5.02 -1.00 -1.82 -0.44 116.94 118.82 3a3d h PHE 333 Ca -0.36 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.39 3a3d h PHE 333 Cb 1.28 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 40.54 3a3d h PHE 333 CO 0.17 0.59 0.35 1.96 -1.61 0.00 0.00 178.31 179.76 3a3d h GLN 334 N 0.86 0.88 -0.07 1.51 7.50 -1.95 -1.09 115.11 122.74 3a3d h GLN 334 Ca 0.22 -0.09 -0.15 0.00 0.50 0.00 0.00 58.65 59.13 3a3d h GLN 334 Cb 0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 3a3d h GLN 334 CO -0.03 0.64 -0.62 -0.07 -1.50 0.00 0.00 178.83 177.25 3a3d h LEU 335 N 0.89 0.30 -0.79 1.46 3.38 -1.76 -1.91 115.31 116.87 3a3d h LEU 335 Ca 0.23 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3a3d h LEU 335 Cb 0.02 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3a3d h LEU 335 CO -0.04 0.84 0.44 1.23 0.09 0.00 0.00 178.44 181.01 3a3d h GLY 336 N 1.47 1.21 1.38 0.83 0.00 -0.33 -0.58 103.07 107.05 3a3d h GLY 336 Ca -0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3a3d h GLY 336 CO 0.10 0.12 -0.29 -0.84 0.00 0.00 0.00 176.54 175.63 3a3d h THR 337 N 0.75 1.28 -0.62 4.70 2.02 -0.94 -0.68 112.91 119.41 3a3d h THR 337 Ca 0.38 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.06 3a3d h THR 337 Cb 0.35 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3a3d h THR 337 CO -0.25 0.46 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 3a3d h LEU 338 N 0.60 1.05 -0.17 2.58 3.38 -1.05 -1.57 115.31 120.13 3a3d h LEU 338 Ca 0.07 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3a3d h LEU 338 Cb 0.79 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a3d h LEU 338 CO 0.06 1.09 -0.17 0.00 0.09 0.00 0.00 178.44 179.51 3a3d h ALA 339 N 1.02 0.25 -0.58 1.53 0.00 -0.81 -0.47 119.26 120.19 3a3d h ALA 339 Ca 0.18 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3a3d h ALA 339 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3a3d h ALA 339 CO 0.03 0.16 0.18 0.28 0.00 0.00 0.00 179.25 179.89 3a3d h VAL 340 N 0.06 1.24 -0.49 0.00 2.07 -0.99 0.68 116.25 118.82 3a3d h VAL 340 Ca 0.03 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3a3d h VAL 340 Cb 0.71 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3a3d h VAL 340 CO 0.04 0.31 -0.01 0.11 0.02 0.00 0.00 177.57 178.04 3a3d h LYS 341 N 0.81 0.87 -0.55 1.57 1.57 -1.26 -1.82 116.57 117.77 3a3d h LYS 341 Ca 0.19 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3a3d h LYS 341 Cb 0.29 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3a3d h LYS 341 CO -0.01 0.91 0.34 1.03 -0.57 0.00 0.00 179.45 181.16 3a3d h SER 342 N 0.73 0.65 -0.34 0.86 0.87 -0.68 0.21 113.55 115.86 3a3d h SER 342 Ca 0.14 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 3a3d h SER 342 Cb 0.52 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3a3d h SER 342 CO 0.03 0.51 -0.41 0.40 -0.53 0.00 0.00 176.83 176.83 3a3d h ILE 343 N 0.74 1.27 -0.12 2.23 2.04 -0.81 -2.54 117.51 120.32 3a3d h ILE 343 Ca 0.20 -1.58 -0.22 0.00 1.00 0.00 0.00 64.86 64.25 3a3d h ILE 343 Cb -0.03 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3a3d h ILE 343 CO -0.04 0.53 -0.81 -0.07 0.00 0.00 0.00 178.15 177.76 3a3d h LEU 344 N 0.73 0.84 -1.26 1.44 3.38 -1.25 -3.09 115.31 116.10 3a3d h LEU 344 Ca 0.05 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3a3d h LEU 344 Cb 1.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3a3d h LEU 344 CO 0.10 1.36 0.38 -0.61 0.09 0.00 0.00 178.44 179.76 3a3d h GLN 345 N 0.46 0.89 0.00 1.13 4.15 -0.49 -0.80 115.11 120.46 3a3d h GLN 345 Ca -0.06 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3a3d h GLN 345 Cb 1.43 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 3a3d h GLN 345 CO 0.16 0.63 -0.10 0.87 -1.93 0.00 0.00 178.83 178.47 3a3d h LYS 346 N 0.91 0.00 -0.48 1.69 1.57 -1.37 -1.18 116.57 117.70 3a3d h LYS 346 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3a3d h LYS 346 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3a3d h LYS 346 CO -0.04 0.10 0.00 1.04 -0.57 0.00 0.00 179.45 179.97 3a3d n GLN 347 N -3.58 2.12 0.00 3.15 1.13 -0.39 -4.92 117.38 114.89 3a3d n GLN 347 Ca -0.02 -1.74 0.00 0.00 -1.94 0.00 0.00 57.00 53.30 3a3d n GLN 347 Cb 0.22 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.19 3a3d n GLN 347 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a3d n GLY 348 N 1.27 0.39 3.77 1.08 0.00 -0.44 -5.07 105.19 106.19 3a3d n GLY 348 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3a3d n GLY 348 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 349 N -2.00 3.70 -0.22 -0.61 -1.09 -0.68 -4.99 121.20 115.31 3a3d s ILE 349 Ca 0.00 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3a3d s ILE 349 Cb 0.00 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3a3d s ILE 349 CO 0.00 0.26 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.70 3a3d s ARG 350 N -1.76 2.77 0.03 2.79 1.81 -1.26 -4.04 118.95 119.28 3a3d s ARG 350 Ca 0.48 -0.99 0.23 0.00 -1.72 0.00 0.00 55.73 53.73 3a3d s ARG 350 Cb -0.27 -2.75 0.14 0.00 -0.45 0.00 0.00 34.95 31.62 3a3d s ARG 350 CO 0.34 -0.34 1.13 1.19 -0.68 0.00 0.00 175.30 176.94 3a3d n PHE 351 N 4.58 0.14 -1.44 -0.53 3.72 -1.26 -4.91 117.46 117.77 3a3d n PHE 351 Ca -0.18 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3a3d n PHE 351 Cb 0.47 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3a3d n PHE 351 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3d n GLY 352 N 1.43 2.78 1.96 1.37 0.00 -1.26 -1.26 105.19 110.22 3a3d n GLY 352 Ca 0.03 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 3a3d n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a3d n ASN 353 N 1.73 3.99 -4.67 1.61 5.03 -1.26 -4.99 115.26 116.71 3a3d n ASN 353 Ca 0.00 -3.69 -0.36 0.00 0.87 0.00 0.00 54.58 51.40 3a3d n ASN 353 Cb 0.00 -0.79 0.09 0.00 -1.02 0.00 0.00 39.78 38.06 3a3d n ASN 353 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3a3d n SER 354 N -1.10 1.10 -4.29 6.41 7.64 -0.39 -5.00 113.62 118.00 3a3d n SER 354 Ca 0.53 0.70 -0.35 0.00 1.01 0.00 0.00 58.87 60.76 3a3d n SER 354 Cb 1.35 -1.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 3a3d n SER 354 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a3d s ILE 355 N -1.75 3.37 -0.44 0.44 -1.09 0.34 -4.96 121.20 117.12 3a3d s ILE 355 Ca 0.76 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 3a3d s ILE 355 Cb -0.35 -2.63 0.12 0.00 -1.58 0.00 0.00 42.46 38.02 3a3d s ILE 355 CO 0.47 0.28 0.18 -0.76 -1.23 0.00 0.00 174.94 173.89 3a3d s LEU 356 N 1.44 4.72 0.00 2.97 1.02 -1.26 -1.27 118.68 126.30 3a3d s LEU 356 Ca 0.03 -2.52 0.24 0.00 0.02 0.00 0.00 54.13 51.91 3a3d s LEU 356 Cb -0.16 -1.68 0.24 0.00 0.02 0.00 0.00 46.19 44.61 3a3d s LEU 356 CO -0.02 -0.35 1.23 0.00 0.02 0.00 0.00 176.35 177.23 3a3d n ALA 357 N 3.81 3.78 -3.79 4.21 0.00 -1.26 -4.64 120.51 122.62 3a3d n ALA 357 Ca 0.04 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 3a3d n ALA 357 Cb 0.38 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.91 3a3d n ALA 357 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a3d s ASP 358 N -2.75 0.03 -0.06 0.00 1.47 -1.26 -4.59 116.67 109.51 3a3d s ASP 358 Ca 0.15 -1.17 0.21 0.00 1.18 0.00 0.00 52.55 52.92 3a3d s ASP 358 Cb 0.18 0.85 -0.30 0.00 -0.34 0.00 0.00 42.92 43.31 3a3d s ASP 358 CO 0.67 -1.70 0.41 0.61 0.68 0.00 0.00 175.17 175.85 3a3d n GLY 359 N -0.53 -1.02 0.12 2.12 0.00 -1.26 -4.41 105.19 100.20 3a3d n GLY 359 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.50 3a3d n GLY 359 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a3d h SER 360 N 0.00 0.00 0.00 1.61 4.64 -1.84 -3.28 113.55 114.68 3a3d h SER 360 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3a3d h SER 360 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3a3d h SER 360 CO 0.01 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3a3d n GLY 361 N 1.29 0.75 0.17 -0.77 0.00 -1.26 -3.93 105.19 101.43 3a3d n GLY 361 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3a3d n GLY 361 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a3d h LEU 362 N 0.00 0.00 -9.77 0.99 3.38 -1.94 -3.35 115.31 104.62 3a3d h LEU 362 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3a3d h LEU 362 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 3a3d h LEU 362 CO 0.00 0.47 0.78 -0.55 0.09 0.00 0.00 178.44 179.24 3a3d s SER 363 N -6.75 6.58 0.00 -0.43 0.15 -1.26 -4.75 113.70 107.24 3a3d s SER 363 Ca -0.01 2.75 0.29 0.00 0.70 0.00 0.00 55.95 59.68 3a3d s SER 363 Cb 0.13 -2.63 1.62 0.00 -1.71 0.00 0.00 66.02 63.43 3a3d s SER 363 CO 0.73 -0.75 2.04 0.54 1.20 0.00 0.00 173.24 177.00 3a3d n ARG 364 N 2.14 0.72 0.04 5.44 5.12 -0.39 -2.30 116.66 127.44 3a3d n ARG 364 Ca 0.07 0.01 0.13 0.00 -1.93 0.00 0.00 57.85 56.12 3a3d n ARG 364 Cb 0.40 -1.50 0.41 0.00 -1.16 0.00 0.00 32.46 30.60 3a3d n ARG 364 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3a3d n HIS 365 N -1.11 0.36 -1.97 -1.55 8.25 -1.26 -4.95 115.22 112.99 3a3d n HIS 365 Ca 0.19 0.11 -0.40 0.00 -0.26 0.00 0.00 57.72 57.36 3a3d n HIS 365 Cb 0.15 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.65 3a3d n HIS 365 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3a3d s ASN 366 N -3.65 6.20 -0.15 0.41 0.02 -0.97 -4.77 114.94 112.02 3a3d s ASN 366 Ca 0.11 2.74 -0.04 0.00 -1.02 0.00 0.00 52.86 54.65 3a3d s ASN 366 Cb 0.16 -2.64 0.07 0.00 0.02 0.00 0.00 41.25 38.86 3a3d s ASN 366 CO 0.62 -0.94 0.25 -0.76 0.02 0.00 0.00 177.10 176.28 3a3d s LEU 367 N -2.49 -0.25 -0.04 0.60 1.43 -0.40 -4.38 118.68 113.16 3a3d s LEU 367 Ca 0.58 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 3a3d s LEU 367 Cb -0.40 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.43 3a3d s LEU 367 CO 0.51 -0.26 0.21 0.54 0.23 0.00 0.00 176.35 177.58 3a3d s VAL 368 N 2.39 0.04 0.31 -1.59 0.11 -0.45 -0.50 120.40 120.71 3a3d s VAL 368 Ca 0.03 -0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 58.58 3a3d s VAL 368 Cb -0.13 -0.43 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 3a3d s VAL 368 CO -0.09 -0.20 0.72 0.00 -3.33 0.00 0.00 175.10 172.20 3a3d s ALA 369 N -0.74 3.35 0.27 1.54 0.00 -1.26 -1.08 121.76 123.84 3a3d s ALA 369 Ca -0.08 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3a3d s ALA 369 Cb -0.05 -2.74 0.59 0.00 0.00 0.00 0.00 23.12 20.92 3a3d s ALA 369 CO 0.02 0.35 1.76 -1.35 0.00 0.00 0.00 175.76 176.53 3a3d h PRO 370 N 2.36 0.63 -0.00 0.00 0.11 -1.69 -1.70 132.00 131.70 3a3d h PRO 370 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3a3d h PRO 370 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3a3d h PRO 370 CO 0.66 0.41 0.00 1.57 -0.21 0.00 0.00 178.00 180.43 3a3d h LYS 371 N 0.65 0.00 -0.06 1.05 2.10 -1.38 -0.09 116.57 118.83 3a3d h LYS 371 Ca 0.49 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.02 3a3d h LYS 371 Cb 0.73 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.06 3a3d h LYS 371 CO -0.38 0.00 -0.46 1.15 -2.00 0.00 0.00 179.45 177.77 3a3d h THR 372 N 0.00 1.41 -0.93 0.07 2.02 -1.58 -1.49 112.91 112.41 3a3d h THR 372 Ca 0.00 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.35 3a3d h THR 372 Cb 0.01 2.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 3a3d h THR 372 CO -0.00 0.55 0.61 -0.03 0.37 0.00 0.00 175.52 177.02 3a3d h MET 373 N -0.07 1.11 -0.72 6.66 1.85 -1.34 -2.49 114.93 119.94 3a3d h MET 373 Ca -0.04 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 58.96 3a3d h MET 373 Cb 1.13 -0.25 -0.03 0.00 0.43 0.00 0.00 31.60 32.88 3a3d h MET 373 CO 0.09 0.74 0.35 1.25 -0.40 0.00 0.00 176.91 178.94 3a3d h LEU 374 N 1.15 0.94 -1.22 3.39 5.85 -0.84 -1.45 115.31 123.11 3a3d h LEU 374 Ca 0.38 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.05 3a3d h LEU 374 Cb 0.05 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3a3d h LEU 374 CO -0.12 0.80 0.56 0.77 -0.34 0.00 0.00 178.44 180.11 3a3d h SER 375 N 1.01 0.81 -0.32 1.25 4.64 -0.83 0.08 113.55 120.18 3a3d h SER 375 Ca 0.25 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.40 3a3d h SER 375 Cb 0.11 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3a3d h SER 375 CO -0.03 0.50 -0.50 0.58 -0.87 0.00 0.00 176.83 176.51 3a3d h VAL 376 N 0.90 1.27 -0.99 0.95 2.07 -0.99 -1.53 116.25 117.94 3a3d h VAL 376 Ca 0.38 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 66.23 3a3d h VAL 376 Cb 0.31 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3a3d h VAL 376 CO -0.15 0.55 0.64 -0.07 0.02 0.00 0.00 177.57 178.56 3a3d h LEU 377 N 0.70 1.15 -0.96 2.57 3.38 -0.71 0.05 115.31 121.48 3a3d h LEU 377 Ca 0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3a3d h LEU 377 Cb 1.11 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3a3d h LEU 377 CO 0.11 0.84 0.05 -0.33 0.09 0.00 0.00 178.44 179.21 3a3d h GLU 378 N 1.34 0.81 -0.49 1.13 5.08 -0.83 -0.83 114.58 120.79 3a3d h GLU 378 Ca 0.36 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3a3d h GLU 378 Cb -0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3a3d h GLU 378 CO -0.07 0.78 0.15 -0.92 -1.00 0.00 0.00 179.01 177.94 3a3d h TYR 379 N 0.77 0.80 -0.35 4.33 3.20 -0.60 0.99 116.97 126.10 3a3d h TYR 379 Ca 0.16 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3a3d h TYR 379 Cb 0.39 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3a3d h TYR 379 CO 0.02 0.70 0.18 0.82 -1.64 0.00 0.00 178.16 178.24 3a3d h ILE 380 N 0.66 0.99 -0.30 1.81 2.04 -0.53 -1.51 117.51 120.68 3a3d h ILE 380 Ca 0.16 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.74 3a3d h ILE 380 Cb 0.28 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3a3d h ILE 380 CO -0.00 0.07 -0.42 0.00 0.00 0.00 0.00 178.15 177.79 3a3d h ALA 381 N 1.18 0.68 -0.09 1.87 0.00 -0.88 -2.37 119.26 119.66 3a3d h ALA 381 Ca 0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3a3d h ALA 381 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a3d h ALA 381 CO -0.09 0.67 -0.24 -0.22 0.00 0.00 0.00 179.25 179.36 3a3d h LYS 382 N 0.61 0.16 -0.38 0.00 3.64 -0.55 -3.03 116.57 117.01 3a3d h LYS 382 Ca 0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3a3d h LYS 382 Cb 0.98 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3a3d h LYS 382 CO 0.09 0.40 0.04 0.09 -2.27 0.00 0.00 179.45 177.80 3a3d n ASN 383 N -4.19 3.84 -0.04 4.20 4.13 -0.59 -4.63 115.26 117.98 3a3d n ASN 383 Ca -0.01 -3.21 0.12 0.00 1.68 0.00 0.00 54.58 53.15 3a3d n ASN 383 Cb 0.34 -0.61 0.53 0.00 -1.54 0.00 0.00 39.78 38.49 3a3d n ASN 383 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3a3d h GLU 384 N 1.87 0.33 0.00 3.52 4.57 -1.30 0.40 114.58 123.97 3a3d h GLU 384 Ca 0.10 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3a3d h GLU 384 Cb 1.68 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.19 3a3d h GLU 384 CO 0.37 0.22 -0.23 -0.44 -1.18 0.00 0.00 179.01 177.75 3a3d h ASP 385 N 0.34 0.00 0.11 1.04 3.32 -1.86 -0.69 116.42 118.69 3a3d h ASP 385 Ca 0.24 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.92 3a3d h ASP 385 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3a3d h ASP 385 CO -0.06 0.23 -2.07 0.29 -1.72 0.00 0.00 179.24 175.91 3a3d n LYS 386 N -4.13 0.74 0.04 3.56 5.02 -0.72 -4.69 118.16 117.99 3a3d n LYS 386 Ca -0.02 0.24 -0.16 0.00 -2.02 0.00 0.00 58.31 56.35 3a3d n LYS 386 Cb 0.30 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 3a3d n LYS 386 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3a3d h LEU 387 N 0.06 0.33 -0.49 -0.35 3.38 -0.78 -3.48 115.31 113.97 3a3d h LEU 387 Ca -0.45 -0.51 -0.45 0.00 0.09 0.00 0.00 57.88 56.57 3a3d h LEU 387 Cb 2.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3a3d h LEU 387 CO 0.06 1.44 -0.70 1.41 0.09 0.00 0.00 178.44 180.74 3a3d n HIS 388 N -3.39 -2.26 0.59 1.13 8.25 -0.28 -4.87 115.22 114.39 3a3d n HIS 388 Ca -0.18 0.81 0.12 0.00 -0.26 0.00 0.00 57.72 58.20 3a3d n HIS 388 Cb 1.04 -4.01 0.10 0.00 1.12 0.00 0.00 29.99 28.25 3a3d n HIS 388 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3a3d n LEU 389 N -4.51 0.65 -0.11 2.41 4.77 -1.26 -4.32 117.00 114.63 3a3d n LEU 389 Ca 0.01 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.14 3a3d n LEU 389 Cb 0.54 -0.14 0.38 0.00 -2.33 0.00 0.00 43.42 41.87 3a3d n LEU 389 CO 0.67 0.00 1.20 0.24 -1.33 0.00 0.00 177.39 178.17 3a3d h MET 390 N 0.00 0.66 0.00 3.23 2.86 -1.89 -1.02 114.93 118.77 3a3d h MET 390 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3a3d h MET 390 Cb 0.72 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3a3d h MET 390 CO 0.00 0.44 0.00 -0.85 1.06 0.00 0.00 176.91 177.56 3a3d n GLU 391 N -4.47 0.61 0.04 1.72 0.28 -1.26 -2.40 120.64 115.15 3a3d n GLU 391 Ca 0.07 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.22 3a3d n GLU 391 Cb 0.15 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.77 3a3d n GLU 391 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3a3d n THR 392 N -1.12 0.21 -2.51 3.84 -2.24 -0.39 -4.89 114.28 107.17 3a3d n THR 392 Ca 0.16 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3a3d n THR 392 Cb 0.14 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3a3d n THR 392 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3a3d s PHE 393 N -3.09 3.61 0.39 4.78 0.08 -1.01 -3.29 117.98 119.45 3a3d s PHE 393 Ca 0.09 1.65 -0.25 0.00 0.12 0.00 0.00 56.93 58.54 3a3d s PHE 393 Cb 0.15 -3.26 -0.11 0.00 -0.57 0.00 0.00 43.02 39.23 3a3d s PHE 393 CO 0.69 -0.53 1.05 -2.30 -0.10 0.00 0.00 175.22 174.04 3a3d n PRO 394 N 1.91 1.47 -4.64 0.24 -0.02 -1.25 -4.73 135.00 127.98 3a3d n PRO 394 Ca 0.01 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 3a3d n PRO 394 Cb 0.46 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 3a3d n PRO 394 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a3d s ILE 395 N -1.22 3.15 0.14 4.25 1.01 -1.17 -1.40 121.20 125.96 3a3d s ILE 395 Ca 0.61 -0.62 -0.34 0.00 0.00 0.00 0.00 60.65 60.31 3a3d s ILE 395 Cb -0.58 -2.34 -0.13 0.00 0.01 0.00 0.00 42.46 39.41 3a3d s ILE 395 CO 0.58 0.51 1.63 0.00 0.00 0.00 0.00 174.94 177.66 3a3d n ALA 396 N 3.67 1.46 -1.14 9.38 0.00 -0.17 -0.88 120.51 132.83 3a3d n ALA 396 Ca -0.18 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 3a3d n ALA 396 Cb 0.52 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 3a3d n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3d n GLY 397 N 3.58 0.64 1.52 0.00 0.00 -0.88 -1.14 105.19 108.92 3a3d n GLY 397 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3a3d n GLY 397 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a3d n VAL 398 N -2.46 0.25 -3.48 1.61 0.31 -0.06 -4.89 118.33 109.61 3a3d n VAL 398 Ca -0.05 0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 3a3d n VAL 398 Cb 0.36 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3a3d n VAL 398 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3a3d n ASP 399 N -3.06 -0.69 0.00 4.52 5.68 -0.73 -4.87 116.55 117.40 3a3d n ASP 399 Ca 0.00 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3a3d n ASP 399 Cb 0.14 1.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.31 3a3d n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a3d n GLY 400 N -0.20 1.03 0.10 6.12 0.00 -1.26 -2.99 105.19 107.99 3a3d n GLY 400 Ca -0.02 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.59 3a3d n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3d n THR 401 N 0.00 0.00 -1.07 2.61 -2.24 -0.67 -2.46 114.28 110.44 3a3d n THR 401 Ca 0.00 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 3a3d n THR 401 Cb 0.00 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.17 3a3d n THR 401 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a3d n ILE 402 N -0.81 2.16 0.24 2.28 -5.35 -1.23 -4.73 119.36 111.92 3a3d n ILE 402 Ca 0.21 -2.12 0.06 0.00 -0.27 0.00 0.00 62.75 60.64 3a3d n ILE 402 Cb 0.19 -0.26 0.56 0.00 -1.74 0.00 0.00 39.64 38.39 3a3d n ILE 402 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a3d h SER 403 N 1.07 0.00 -0.17 7.28 4.64 -1.38 -2.25 113.55 122.75 3a3d h SER 403 Ca 0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 3a3d h SER 403 Cb 1.29 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.17 3a3d h SER 403 CO 0.15 0.11 -0.74 0.61 -0.87 0.00 0.00 176.83 176.09 3a3d n GLY 404 N -1.20 4.04 3.65 -0.77 0.00 -1.26 -3.26 105.19 106.38 3a3d n GLY 404 Ca -0.03 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3a3d n GLY 404 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a3d s ARG 405 N -2.54 3.94 0.26 1.61 6.06 -1.02 -4.87 118.95 122.39 3a3d s ARG 405 Ca 0.38 2.44 -0.02 0.00 -2.50 0.00 0.00 55.73 56.04 3a3d s ARG 405 Cb 0.38 -4.19 0.45 0.00 0.06 0.00 0.00 34.95 31.64 3a3d s ARG 405 CO -0.07 -1.18 1.84 0.78 -2.50 0.00 0.00 175.30 174.16 3a3d h GLY 406 N 11.50 1.47 2.00 8.12 0.00 -1.95 -0.93 103.07 123.27 3a3d h GLY 406 Ca -0.47 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3a3d h GLY 406 CO 0.95 0.20 0.00 0.61 0.00 0.00 0.00 176.54 178.30 3a3d n GLY 407 N -1.34 -1.37 0.20 4.60 0.00 -1.26 -3.58 105.19 102.45 3a3d n GLY 407 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3a3d n GLY 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a3d n LEU 408 N -1.59 1.84 -0.82 0.99 4.77 -0.37 -3.58 117.00 118.24 3a3d n LEU 408 Ca 0.06 -1.49 0.09 0.00 -0.03 0.00 0.00 56.01 54.64 3a3d n LEU 408 Cb 0.30 -0.04 0.26 0.00 -2.33 0.00 0.00 43.42 41.61 3a3d n LEU 408 CO 0.23 0.44 0.71 2.30 -1.33 0.00 0.00 177.39 179.74 3a3d n ILE 409 N 0.07 0.48 -4.36 -0.08 -6.64 -1.12 -2.52 119.36 105.19 3a3d n ILE 409 Ca 0.03 -0.56 -0.24 0.00 -1.77 0.00 0.00 62.75 60.21 3a3d n ILE 409 Cb 0.21 0.45 -0.09 0.00 -1.44 0.00 0.00 39.64 38.77 3a3d n ILE 409 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3a3d s SER 410 N -1.26 4.14 0.59 7.28 0.01 -1.26 -4.70 113.70 118.49 3a3d s SER 410 Ca 0.33 -0.78 -0.20 0.00 1.31 0.00 0.00 55.95 56.61 3a3d s SER 410 Cb 0.18 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 3a3d s SER 410 CO 0.25 0.03 1.24 -2.65 0.41 0.00 0.00 173.24 172.52 3a3d n PRO 411 N -0.65 1.31 -0.37 12.44 -0.02 -1.26 -0.85 135.00 145.60 3a3d n PRO 411 Ca -0.07 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3a3d n PRO 411 Cb 0.59 -2.45 0.20 0.00 -0.02 0.00 0.00 33.50 31.82 3a3d n PRO 411 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a3d n PRO 412 N -1.27 2.62 -0.07 0.52 -0.04 -1.26 -4.84 135.00 130.67 3a3d n PRO 412 Ca 0.13 -1.59 -0.13 0.00 -0.04 0.00 0.00 63.50 61.86 3a3d n PRO 412 Cb 0.46 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 3a3d n PRO 412 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a3d n LEU 413 N 0.47 1.34 -4.77 1.53 4.77 -0.03 -4.71 117.00 115.61 3a3d n LEU 413 Ca 0.14 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.83 3a3d n LEU 413 Cb 0.59 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3a3d n LEU 413 CO 0.14 0.63 0.92 0.54 -1.33 0.00 0.00 177.39 178.30 3a3d s VAL 414 N -2.53 2.79 -0.33 4.08 0.11 -0.70 -1.44 120.40 122.37 3a3d s VAL 414 Ca -0.17 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 3a3d s VAL 414 Cb 0.07 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 3a3d s VAL 414 CO 0.76 0.10 0.00 0.29 -3.33 0.00 0.00 175.10 172.93 3a3d n LYS 415 N 0.20 -1.33 0.09 1.54 5.02 -0.29 -4.73 118.16 118.67 3a3d n LYS 415 Ca 0.03 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3a3d n LYS 415 Cb 0.44 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.88 3a3d n LYS 415 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a3d n ASN 416 N -0.64 0.51 -4.74 4.39 5.15 -0.55 -4.96 115.26 114.42 3a3d n ASN 416 Ca -0.03 0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.83 3a3d n ASN 416 Cb 0.38 0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.62 3a3d n ASN 416 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a3d s VAL 417 N -2.00 2.29 -0.04 3.44 1.01 -0.52 -4.50 120.40 120.08 3a3d s VAL 417 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3a3d s VAL 417 Cb 0.00 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3a3d s VAL 417 CO 0.00 0.03 -0.18 0.27 0.00 0.00 0.00 175.10 175.22 3a3d s ILE 418 N 0.47 1.49 -0.28 2.22 -4.36 -0.23 -0.99 121.20 119.52 3a3d s ILE 418 Ca 0.66 -0.75 -0.25 0.00 -0.26 0.00 0.00 60.65 60.05 3a3d s ILE 418 Cb -0.46 -1.28 0.09 0.00 1.25 0.00 0.00 42.46 42.06 3a3d s ILE 418 CO 0.40 0.43 0.84 0.00 0.24 0.00 0.00 174.94 176.85 3a3d s ALA 419 N -0.01 -1.86 -0.03 2.27 0.00 -0.49 -1.05 121.76 120.58 3a3d s ALA 419 Ca -0.03 1.98 -0.27 0.00 0.00 0.00 0.00 51.96 53.64 3a3d s ALA 419 Cb -0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3a3d s ALA 419 CO 0.02 -0.30 0.86 0.21 0.00 0.00 0.00 175.76 176.55 3a3d s LYS 420 N 0.35 4.50 0.49 0.00 2.47 0.42 -3.79 119.74 124.18 3a3d s LYS 420 Ca 0.01 1.19 -0.05 0.00 -1.56 0.00 0.00 55.97 55.56 3a3d s LYS 420 Cb -0.05 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 3a3d s LYS 420 CO -0.02 -0.01 0.79 0.95 0.16 0.00 0.00 175.35 177.22 3a3d s THR 421 N 0.95 4.82 -0.10 3.43 -4.23 -1.26 -1.29 115.64 117.94 3a3d s THR 421 Ca 0.46 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 3a3d s THR 421 Cb -0.20 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.86 3a3d s THR 421 CO 0.23 -0.82 0.07 -0.83 -0.54 0.00 0.00 174.62 172.74 3a3d s GLY 422 N -4.12 0.29 -0.05 3.99 0.00 -0.40 -3.15 107.32 103.88 3a3d s GLY 422 Ca 0.48 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.16 3a3d s GLY 422 CO 0.45 1.53 -0.09 -0.56 0.00 0.00 0.00 173.10 174.43 3a3d s SER 423 N 2.14 1.39 0.23 1.64 0.01 -1.26 -0.12 113.70 117.73 3a3d s SER 423 Ca 0.04 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 3a3d s SER 423 Cb -0.14 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 3a3d s SER 423 CO -0.06 0.01 0.20 -0.76 0.41 0.00 0.00 173.24 173.04 3a3d s LEU 424 N 0.67 1.14 -0.12 2.44 1.43 -0.96 -4.74 118.68 118.54 3a3d s LEU 424 Ca -0.12 -1.40 -0.36 0.00 -1.03 0.00 0.00 54.13 51.22 3a3d s LEU 424 Cb -0.14 0.60 -0.13 0.00 0.03 0.00 0.00 46.19 46.55 3a3d s LEU 424 CO 0.02 -0.92 1.83 1.17 0.23 0.00 0.00 176.35 178.67 3a3d n LYS 425 N -0.35 1.90 -0.20 1.70 4.81 -1.26 -1.06 118.16 123.70 3a3d n LYS 425 Ca 0.02 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 3a3d n LYS 425 Cb 0.65 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3a3d n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3d n GLY 426 N 4.29 1.28 2.89 3.14 0.00 -1.26 -4.93 105.19 110.60 3a3d n GLY 426 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3a3d n GLY 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3d s VAL 427 N -2.73 0.79 -0.37 1.61 1.01 -0.23 -1.37 120.40 119.11 3a3d s VAL 427 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3a3d s VAL 427 Cb 0.00 -0.83 0.12 0.00 0.00 0.00 0.00 36.38 35.67 3a3d s VAL 427 CO 0.00 0.31 0.17 -0.31 0.00 0.00 0.00 175.10 175.27 3a3d s TYR 428 N 1.45 1.82 0.19 5.22 2.02 -0.38 -2.27 117.35 125.40 3a3d s TYR 428 Ca -0.01 -2.08 0.10 0.00 -0.37 0.00 0.00 57.07 54.71 3a3d s TYR 428 Cb -0.13 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3a3d s TYR 428 CO -0.04 -0.83 -0.18 -0.80 -1.57 0.00 0.00 175.55 172.13 3a3d s ASN 429 N 0.97 3.77 -0.00 2.29 0.01 0.83 -3.06 114.94 119.74 3a3d s ASN 429 Ca 0.14 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 3a3d s ASN 429 Cb -0.21 -0.44 -0.00 0.00 0.41 0.00 0.00 41.25 41.01 3a3d s ASN 429 CO -0.11 0.11 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.82 3a3d s LEU 430 N -2.78 2.01 -0.04 0.60 1.43 -0.22 -1.28 118.68 118.39 3a3d s LEU 430 Ca 0.23 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3a3d s LEU 430 Cb -0.08 -0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.13 3a3d s LEU 430 CO 0.12 0.00 0.04 0.00 0.23 0.00 0.00 176.35 176.74 3a3d s ALA 431 N -0.05 0.25 0.00 4.21 0.00 -0.41 -0.36 121.76 125.40 3a3d s ALA 431 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3a3d s ALA 431 Cb -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3a3d s ALA 431 CO -0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3a3d n GLY 432 N 4.88 -0.78 3.11 0.00 0.00 -0.43 -0.43 105.19 111.54 3a3d n GLY 432 Ca -0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 3a3d n GLY 432 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a3d s PHE 433 N -3.95 0.35 0.20 1.61 0.08 -0.21 -0.74 117.98 115.32 3a3d s PHE 433 Ca 0.00 -0.80 -0.14 0.00 0.12 0.00 0.00 56.93 56.11 3a3d s PHE 433 Cb 0.00 -0.25 0.01 0.00 -0.57 0.00 0.00 43.02 42.21 3a3d s PHE 433 CO 0.00 -0.39 0.45 0.00 -0.10 0.00 0.00 175.22 175.18 3a3d s MET 434 N -3.41 1.37 -0.16 0.44 0.23 0.16 -1.07 119.30 116.87 3a3d s MET 434 Ca 0.02 -1.05 -0.07 0.00 -1.03 0.00 0.00 55.69 53.56 3a3d s MET 434 Cb 0.04 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 3a3d s MET 434 CO -0.08 -0.56 0.07 0.99 -2.03 0.00 0.00 175.02 173.41 3a3d s THR 435 N -3.94 4.90 0.65 3.16 2.01 -1.26 -0.24 115.64 120.92 3a3d s THR 435 Ca 0.15 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 3a3d s THR 435 Cb 0.00 -3.17 0.14 0.00 0.01 0.00 0.00 72.50 69.47 3a3d s THR 435 CO 0.01 0.51 0.89 -0.46 -0.69 0.00 0.00 174.62 174.88 3a3d n ASN 436 N 3.00 0.85 0.31 3.53 0.23 -0.02 -4.89 115.26 118.28 3a3d n ASN 436 Ca -0.17 -1.80 0.20 0.00 -0.53 0.00 0.00 54.58 52.28 3a3d n ASN 436 Cb 0.53 -0.61 1.02 0.00 -2.08 0.00 0.00 39.78 38.65 3a3d n ASN 436 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a3d h ALA 437 N -0.90 1.06 -0.01 -2.53 0.00 -1.50 -0.93 119.26 114.44 3a3d h ALA 437 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a3d h ALA 437 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3a3d h ALA 437 CO 0.28 0.01 -0.19 0.54 0.00 0.00 0.00 179.25 179.89 3a3d n ARG 438 N -3.18 0.83 -0.79 0.00 1.74 -1.26 -4.95 116.66 109.04 3a3d n ARG 438 Ca -0.02 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 3a3d n ARG 438 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3a3d n ARG 438 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a3d n GLY 439 N 1.31 0.59 3.88 -0.13 0.00 -0.36 -5.06 105.19 105.42 3a3d n GLY 439 Ca 0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3a3d n GLY 439 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3d s GLU 440 N -0.42 3.79 -0.05 1.61 2.02 -1.26 -4.80 118.70 119.60 3a3d s GLU 440 Ca 0.00 0.27 -0.19 0.00 0.02 0.00 0.00 54.97 55.07 3a3d s GLU 440 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 3a3d s GLU 440 CO 0.00 0.29 0.52 0.21 0.02 0.00 0.00 175.26 176.30 3a3d s LYS 441 N -2.92 4.27 -0.10 1.61 2.20 -1.26 -0.84 119.74 122.70 3a3d s LYS 441 Ca 0.47 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.70 3a3d s LYS 441 Cb -0.11 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3a3d s LYS 441 CO 0.22 0.33 -0.22 0.08 -0.36 0.00 0.00 175.35 175.41 3a3d s VAL 442 N 0.00 2.29 -0.02 4.02 1.01 0.66 -0.71 120.40 127.66 3a3d s VAL 442 Ca 0.28 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3a3d s VAL 442 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3a3d s VAL 442 CO 0.14 0.56 0.13 0.00 0.00 0.00 0.00 175.10 175.92 3a3d s ALA 443 N 0.23 3.77 0.02 5.51 0.00 -0.06 -0.67 121.76 130.56 3a3d s ALA 443 Ca -0.14 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3a3d s ALA 443 Cb -0.17 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3a3d s ALA 443 CO 0.07 0.71 0.32 -0.59 0.00 0.00 0.00 175.76 176.27 3a3d s PHE 444 N -1.24 -0.15 -0.07 0.00 -0.12 0.08 -0.35 117.98 116.14 3a3d s PHE 444 Ca 0.24 0.11 0.01 0.00 -0.05 0.00 0.00 56.93 57.24 3a3d s PHE 444 Cb -0.12 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.39 3a3d s PHE 444 CO 0.15 -0.47 -0.08 0.08 -0.05 0.00 0.00 175.22 174.85 3a3d s VAL 445 N -2.10 0.89 -0.22 -2.49 1.01 -0.11 -1.31 120.40 116.07 3a3d s VAL 445 Ca -0.08 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3a3d s VAL 445 Cb -0.02 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.54 3a3d s VAL 445 CO -0.00 0.31 -0.12 -1.58 0.00 0.00 0.00 175.10 173.70 3a3d s GLN 446 N 0.97 2.28 -0.19 2.72 0.74 0.51 -1.52 119.66 125.16 3a3d s GLN 446 Ca -0.10 -1.03 -0.05 0.00 0.05 0.00 0.00 55.36 54.24 3a3d s GLN 446 Cb -0.15 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 3a3d s GLN 446 CO 0.00 -0.44 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.23 3a3d s PHE 447 N 1.27 3.02 -0.11 1.67 0.08 0.67 -1.06 117.98 123.52 3a3d s PHE 447 Ca -0.03 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.58 3a3d s PHE 447 Cb -0.17 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 3a3d s PHE 447 CO -0.08 -0.23 -0.23 0.42 -0.10 0.00 0.00 175.22 175.00 3a3d s ILE 448 N 0.91 2.03 0.30 0.64 1.01 -1.17 -0.00 121.20 124.92 3a3d s ILE 448 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3a3d s ILE 448 Cb -0.14 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 3a3d s ILE 448 CO 0.02 0.55 0.08 0.20 0.00 0.00 0.00 174.94 175.78 3a3d s ASN 449 N 0.47 1.96 -0.36 3.58 -0.87 -0.46 -1.25 114.94 118.01 3a3d s ASN 449 Ca -0.16 -1.39 0.00 0.00 -1.57 0.00 0.00 52.86 49.74 3a3d s ASN 449 Cb -0.17 0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 3a3d s ASN 449 CO 0.06 -0.67 0.00 0.61 -2.57 0.00 0.00 177.10 174.54 3a3d n GLY 450 N -0.62 0.57 3.64 0.66 0.00 -0.78 -1.20 105.19 107.47 3a3d n GLY 450 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3a3d n GLY 450 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a3d s TYR 451 N -1.83 3.19 -0.05 1.61 5.04 -0.47 -3.56 117.35 121.28 3a3d s TYR 451 Ca 0.00 1.22 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 3a3d s TYR 451 Cb 0.00 -3.58 0.04 0.00 0.35 0.00 0.00 41.96 38.76 3a3d s TYR 451 CO 0.00 -0.70 0.10 0.45 -1.34 0.00 0.00 175.55 174.06 3a3d s SER 452 N 1.57 0.36 0.00 4.32 0.15 -1.26 -4.02 113.70 114.82 3a3d s SER 452 Ca 0.44 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3a3d s SER 452 Cb -0.13 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3a3d s SER 452 CO 0.13 -0.18 0.84 0.35 1.20 0.00 0.00 173.24 175.58 3a3d n THR 453 N 4.63 0.68 -3.31 6.45 -2.24 -1.26 -4.81 114.28 114.42 3a3d n THR 453 Ca -0.18 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3a3d n THR 453 Cb 0.50 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3a3d n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3d n GLY 454 N -0.34 -0.60 3.72 3.38 0.00 -1.26 -4.84 105.19 105.25 3a3d n GLY 454 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3a3d n GLY 454 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3a3d s ASP 455 N -4.00 3.44 0.26 1.61 -4.77 -1.26 -4.89 116.67 107.06 3a3d s ASP 455 Ca 0.00 1.48 -0.01 0.00 -3.30 0.00 0.00 52.55 50.72 3a3d s ASP 455 Cb 0.00 -2.16 0.53 0.00 -1.09 0.00 0.00 42.92 40.20 3a3d s ASP 455 CO 0.00 -2.66 1.76 -0.07 0.70 0.00 0.00 175.17 174.91 3a3d h LEU 456 N -1.56 0.54 -0.01 2.11 4.07 -2.03 -1.79 115.31 116.63 3a3d h LEU 456 Ca -0.50 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.55 3a3d h LEU 456 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 3a3d h LEU 456 CO 0.55 0.23 -0.42 1.21 -1.08 0.00 0.00 178.44 178.92 3a3d n GLU 457 N -4.86 0.03 -1.31 1.13 4.07 -1.26 -4.94 120.64 113.50 3a3d n GLU 457 Ca 0.17 -0.01 -0.31 0.00 -0.06 0.00 0.00 57.16 56.94 3a3d n GLU 457 Cb 0.43 -1.50 0.09 0.00 -0.06 0.00 0.00 31.44 30.40 3a3d n GLU 457 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3a3d s SER 458 N -2.98 4.58 0.05 4.31 0.01 -0.68 -4.99 113.70 114.00 3a3d s SER 458 Ca 0.12 1.83 -0.30 0.00 1.31 0.00 0.00 55.95 58.90 3a3d s SER 458 Cb 0.18 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 3a3d s SER 458 CO 0.67 -1.99 1.13 -1.59 0.41 0.00 0.00 173.24 171.87 3a3d s LYS 459 N -4.85 4.48 0.30 12.44 -2.85 -1.26 -4.93 119.74 123.07 3a3d s LYS 459 Ca 0.61 1.66 -0.29 0.00 -1.00 0.00 0.00 55.97 56.95 3a3d s LYS 459 Cb -0.17 -3.38 -0.10 0.00 -2.06 0.00 0.00 37.83 32.12 3a3d s LYS 459 CO 0.55 -0.17 1.31 0.99 0.10 0.00 0.00 175.35 178.13 3a3d s THR 460 N 0.95 2.83 -0.28 3.79 2.01 -1.26 -4.95 115.64 118.73 3a3d s THR 460 Ca 0.56 0.80 -0.27 0.00 0.31 0.00 0.00 61.69 63.08 3a3d s THR 460 Cb -0.27 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.74 3a3d s THR 460 CO 0.29 0.17 0.98 -0.54 -0.69 0.00 0.00 174.62 174.83 3a3d s LYS 461 N -1.35 4.13 0.00 4.92 1.02 -1.26 -4.95 119.74 122.25 3a3d s LYS 461 Ca 0.51 1.06 0.26 0.00 0.02 0.00 0.00 55.97 57.82 3a3d s LYS 461 Cb -0.39 -3.69 0.68 0.00 -0.52 0.00 0.00 37.83 33.91 3a3d s LYS 461 CO 0.49 -0.72 1.53 0.54 -0.92 0.00 0.00 175.35 176.27 3a3d n ARG 462 N 6.45 0.12 -0.33 1.68 1.74 -1.26 -4.45 116.66 120.61 3a3d n ARG 462 Ca 0.10 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3a3d n ARG 462 Cb 0.47 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.55 3a3d n ARG 462 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a3d h ALA 463 N 3.10 1.22 -0.68 7.54 0.00 -2.00 -0.08 119.26 128.36 3a3d h ALA 463 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a3d h ALA 463 Cb 0.49 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3a3d h ALA 463 CO 0.00 0.36 0.41 -1.35 0.00 0.00 0.00 179.25 178.67 3a3d h PRO 464 N 1.06 0.75 -0.62 0.00 0.11 -1.82 -1.83 132.00 129.65 3a3d h PRO 464 Ca 0.38 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.49 3a3d h PRO 464 Cb 0.11 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 3a3d h PRO 464 CO -0.15 0.50 0.34 1.25 -0.21 0.00 0.00 178.00 179.73 3a3d h LEU 465 N 0.77 0.52 -0.58 2.35 5.85 -1.56 -0.71 115.31 121.94 3a3d h LEU 465 Ca 0.29 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3a3d h LEU 465 Cb 0.10 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3a3d h LEU 465 CO -0.14 0.35 0.23 0.58 -0.34 0.00 0.00 178.44 179.12 3a3d h VAL 466 N 0.65 1.23 -0.31 1.05 2.07 -0.63 0.11 116.25 120.41 3a3d h VAL 466 Ca 0.27 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 3a3d h VAL 466 Cb 0.14 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3a3d h VAL 466 CO -0.16 0.27 -0.32 1.56 0.02 0.00 0.00 177.57 178.94 3a3d h GLN 467 N 0.81 0.76 -0.33 1.57 4.20 -1.06 -0.15 115.11 120.91 3a3d h GLN 467 Ca 0.20 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3a3d h GLN 467 Cb 0.20 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3a3d h GLN 467 CO -0.02 1.03 0.18 0.35 -0.67 0.00 0.00 178.83 179.71 3a3d h PHE 468 N 0.53 0.46 -0.18 2.96 3.57 -0.76 -1.48 116.94 122.03 3a3d h PHE 468 Ca 0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3a3d h PHE 468 Cb 0.90 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 3a3d h PHE 468 CO 0.07 0.36 -0.07 0.93 -2.23 0.00 0.00 178.31 177.37 3a3d h GLU 469 N 0.42 0.36 -0.70 1.11 5.08 -0.68 -0.14 114.58 120.04 3a3d h GLU 469 Ca 0.12 -0.15 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3a3d h GLU 469 Cb 0.05 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3a3d h GLU 469 CO -0.02 0.65 0.31 -0.09 -1.00 0.00 0.00 179.01 178.86 3a3d h ARG 470 N 0.05 0.50 -0.14 2.33 2.43 -0.97 -1.05 114.38 117.53 3a3d h ARG 470 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a3d h ARG 470 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3a3d h ARG 470 CO 0.02 0.33 0.03 -0.91 -1.51 0.00 0.00 179.97 177.94 3a3d h ASN 471 N 0.51 0.22 -0.20 -3.80 2.35 -0.98 -2.00 115.58 111.67 3a3d h ASN 471 Ca 0.36 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3a3d h ASN 471 Cb 0.44 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3a3d h ASN 471 CO -0.31 0.39 0.12 0.25 -1.65 0.00 0.00 177.43 176.23 3a3d h LEU 472 N 0.03 0.20 -0.74 1.61 5.85 -0.65 0.40 115.31 122.01 3a3d h LEU 472 Ca 0.04 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3a3d h LEU 472 Cb 0.26 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3a3d h LEU 472 CO 0.00 0.15 -0.62 1.88 -0.34 0.00 0.00 178.44 179.50 3a3d h TYR 473 N 0.25 0.03 -0.79 1.25 0.05 -1.27 -0.25 116.97 116.25 3a3d h TYR 473 Ca 0.08 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 3a3d h TYR 473 Cb -0.01 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3a3d h TYR 473 CO -0.08 0.64 0.31 -0.91 -1.05 0.00 0.00 178.16 177.07 3a3d h ASN 474 N 0.02 1.09 -0.53 3.88 2.35 -1.22 0.05 115.58 121.22 3a3d h ASN 474 Ca -0.01 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 3a3d h ASN 474 Cb 1.10 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3a3d h ASN 474 CO 0.08 0.97 0.18 -0.33 -1.65 0.00 0.00 177.43 176.68 3a3d h GLU 475 N 1.14 0.87 -0.41 0.81 4.39 -0.16 -1.10 114.58 120.11 3a3d h GLU 475 Ca 0.26 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 3a3d h GLU 475 Cb 0.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3a3d h GLU 475 CO -0.02 0.75 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.37 3a3d h LEU 476 N 0.84 0.76 -1.02 1.33 3.38 -0.84 -0.64 115.31 119.12 3a3d h LEU 476 Ca 0.19 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3a3d h LEU 476 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3a3d h LEU 476 CO -0.01 0.91 -0.07 0.22 0.09 0.00 0.00 178.44 179.59 3a3d h TYR 477 N 0.68 0.67 0.00 1.13 3.20 -0.43 -3.25 116.97 118.97 3a3d h TYR 477 Ca 0.11 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3a3d h TYR 477 Cb 0.63 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3a3d h TYR 477 CO 0.03 0.68 -1.03 1.63 -1.64 0.00 0.00 178.16 177.83 3a3d n LYS 478 N -4.21 0.25 0.00 1.82 5.02 -0.47 -1.26 118.16 119.31 3a3d n LYS 478 Ca 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3a3d n LYS 478 Cb 0.31 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3a3d n LYS 478 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86