#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dga s GLU 3 N 0.00 0.37 0.29 2.12 2.02 -1.26 -5.15 118.70 117.09 3dga s GLU 3 Ca 0.00 0.84 -0.28 0.00 0.02 0.00 0.00 54.97 55.55 3dga s GLU 3 Cb 0.00 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 34.18 3dga s GLU 3 CO 0.00 -0.45 0.97 -0.65 0.02 0.00 0.00 175.26 175.15 3dga s GLN 4 N 2.62 4.68 0.25 1.61 -0.21 -1.26 -4.94 119.66 122.42 3dga s GLN 4 Ca 0.06 1.46 -0.06 0.00 0.02 0.00 0.00 55.36 56.85 3dga s GLN 4 Cb -0.14 -3.03 0.27 0.00 1.00 0.00 0.00 33.01 31.11 3dga s GLN 4 CO -0.15 0.35 1.93 0.28 -2.12 0.00 0.00 175.29 175.58 3dga h VAL 5 N 2.87 1.24 -0.55 1.09 2.07 -1.97 -2.33 116.25 118.67 3dga h VAL 5 Ca -0.46 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3dga h VAL 5 Cb 1.20 -0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3dga h VAL 5 CO 0.66 0.25 0.34 0.00 0.02 0.00 0.00 177.57 178.84 3dga h ASP 7 N 0.75 0.67 0.57 0.00 3.58 -1.78 -0.67 116.42 119.53 3dga h ASP 7 Ca 0.20 -0.67 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 3dga h ASP 7 Cb -0.05 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 40.80 3dga h ASP 7 CO -0.04 1.24 -0.27 0.58 -2.88 0.00 0.00 179.24 177.87 3dga h VAL 8 N 0.15 0.38 -0.01 2.25 2.07 -1.19 -3.11 116.25 116.80 3dga h VAL 8 Ca -0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dga h VAL 8 Cb 1.27 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3dga h VAL 8 CO 0.12 0.03 0.00 0.49 0.02 0.00 0.00 177.57 178.24 3dga n PHE 9 N -5.36 0.00 -3.44 1.57 3.72 -0.52 -4.74 117.46 108.69 3dga n PHE 9 Ca -0.12 -0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.09 3dga n PHE 9 Cb 0.33 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.91 3dga n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dga n ASP 10 N -0.69 -6.20 -4.53 4.37 9.92 -0.52 -4.31 116.55 114.59 3dga n ASP 10 Ca 0.22 -0.70 -0.41 0.00 -0.53 0.00 0.00 54.79 53.36 3dga n ASP 10 Cb 0.17 -4.06 -0.09 0.00 -0.64 0.00 0.00 41.12 36.50 3dga n ASP 10 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3dga s ILE 11 N -3.27 5.13 0.16 0.53 1.01 -0.38 -1.64 121.20 122.75 3dga s ILE 11 Ca 0.29 -0.01 0.09 0.00 0.00 0.00 0.00 60.65 61.02 3dga s ILE 11 Cb -0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3dga s ILE 11 CO 0.81 -0.19 -0.15 -0.31 0.00 0.00 0.00 174.94 175.11 3dga s TYR 12 N 2.09 2.55 -0.15 3.97 2.02 0.87 0.52 117.35 129.22 3dga s TYR 12 Ca 0.13 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3dga s TYR 12 Cb -0.17 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3dga s TYR 12 CO 0.12 0.47 -0.14 0.00 -1.57 0.00 0.00 175.55 174.43 3dga s ALA 13 N -1.52 2.55 -0.03 3.71 0.00 -0.62 0.11 121.76 125.96 3dga s ALA 13 Ca 0.22 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3dga s ALA 13 Cb -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3dga s ALA 13 CO 0.13 0.07 -0.25 -1.50 0.00 0.00 0.00 175.76 174.21 3dga s ILE 14 N 0.65 2.10 0.35 0.00 2.07 -1.08 -0.35 121.20 124.94 3dga s ILE 14 Ca -0.08 -1.08 -0.14 0.00 -1.41 0.00 0.00 60.65 57.94 3dga s ILE 14 Cb -0.16 -1.74 0.03 0.00 0.13 0.00 0.00 42.46 40.73 3dga s ILE 14 CO 0.02 0.58 0.70 0.00 -1.91 0.00 0.00 174.94 174.33 3dga s ALA 16 N -2.88 0.34 0.04 0.00 0.00 -1.26 -0.42 121.76 117.58 3dga s ALA 16 Ca 0.18 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3dga s ALA 16 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3dga s ALA 16 CO 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 175.76 175.67 3dga s LYS 19 N -2.42 3.67 -0.03 0.00 1.02 -0.29 -1.10 119.74 120.59 3dga s LYS 19 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 3dga s LYS 19 Cb -0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3dga s LYS 19 CO 0.00 0.53 0.06 0.08 -0.92 0.00 0.00 175.35 175.11 3dga s VAL 20 N -1.49 4.64 0.12 3.17 1.01 -1.26 -0.38 120.40 126.21 3dga s VAL 20 Ca 0.36 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3dga s VAL 20 Cb -0.13 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 3dga s VAL 20 CO 0.20 0.42 0.77 -1.83 0.00 0.00 0.00 175.10 174.66 3dga s GLU 21 N -1.51 4.53 -0.16 2.72 -1.05 -1.21 -4.88 118.70 117.15 3dga s GLU 21 Ca 0.20 1.11 -0.00 0.00 -0.15 0.00 0.00 54.97 56.13 3dga s GLU 21 Cb -0.12 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.31 3dga s GLU 21 CO 0.11 0.48 -0.08 -1.54 0.95 0.00 0.00 175.26 175.17 3dga s SER 22 N -0.77 2.77 0.00 0.83 1.04 -1.26 -4.97 113.70 111.33 3dga s SER 22 Ca 0.36 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3dga s SER 22 Cb -0.22 -1.01 0.05 0.00 0.10 0.00 0.00 66.02 64.95 3dga s SER 22 CO 0.25 -0.14 0.47 0.29 0.98 0.00 0.00 173.24 175.09 3dga n LYS 23 N 4.84 0.03 -1.91 4.02 4.76 -1.26 -4.68 118.16 123.96 3dga n LYS 23 Ca -0.13 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.88 3dga n LYS 23 Cb 0.48 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3dga n LYS 23 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dga s ASN 24 N -1.99 6.36 0.92 4.39 0.01 -1.26 -4.97 114.94 118.40 3dga s ASN 24 Ca 0.01 2.09 -0.10 0.00 -0.71 0.00 0.00 52.86 54.16 3dga s ASN 24 Cb 0.01 -2.53 0.15 0.00 0.41 0.00 0.00 41.25 39.29 3dga s ASN 24 CO 0.01 -1.20 1.14 -0.70 -1.51 0.00 0.00 177.10 174.84 3dga s GLU 25 N 4.65 0.96 -0.49 -0.60 2.12 -1.26 -4.38 118.70 119.71 3dga s GLU 25 Ca 0.80 1.51 -0.15 0.00 0.36 0.00 0.00 54.97 57.49 3dga s GLU 25 Cb -0.33 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.36 3dga s GLU 25 CO 0.33 -2.66 0.48 0.41 -0.54 0.00 0.00 175.26 173.29 3dga n GLY 26 N 0.19 -0.44 3.55 -1.50 0.00 -1.26 -4.75 105.19 100.98 3dga n GLY 26 Ca 0.11 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.45 3dga n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dga s LYS 27 N -3.10 2.45 -0.65 1.61 -0.14 -1.26 -4.87 119.74 113.78 3dga s LYS 27 Ca 0.15 0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 55.17 3dga s LYS 27 Cb -0.01 -4.53 -0.05 0.00 -1.68 0.00 0.00 37.83 31.55 3dga s LYS 27 CO 0.68 -3.01 2.10 0.21 -0.76 0.00 0.00 175.35 174.58 3dga s LYS 28 N 7.39 2.33 -0.50 1.68 2.36 -1.26 -3.89 119.74 127.85 3dga s LYS 28 Ca 0.75 0.66 -0.08 0.00 -2.55 0.00 0.00 55.97 54.75 3dga s LYS 28 Cb -0.13 -4.62 0.01 0.00 -1.05 0.00 0.00 37.83 32.04 3dga s LYS 28 CO 0.19 -3.23 0.43 0.09 1.55 0.00 0.00 175.35 174.37 3dga n ASN 29 N 14.65 -3.43 -4.34 1.43 5.03 -1.26 -4.64 115.26 122.70 3dga n ASN 29 Ca 0.32 -0.52 -0.42 0.00 0.87 0.00 0.00 54.58 54.83 3dga n ASN 29 Cb 0.51 -1.10 -0.00 0.00 -1.02 0.00 0.00 39.78 38.17 3dga n ASN 29 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3dga n GLU 30 N -1.46 0.15 -4.20 3.52 2.13 -1.25 -4.96 120.64 114.57 3dga n GLU 30 Ca -0.18 0.05 -0.35 0.00 0.66 0.00 0.00 57.16 57.34 3dga n GLU 30 Cb 0.48 -1.14 -0.08 0.00 0.27 0.00 0.00 31.44 30.97 3dga n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dga s VAL 31 N -1.61 4.71 0.20 6.31 1.01 -1.26 -5.11 120.40 124.65 3dga s VAL 31 Ca 0.61 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.56 3dga s VAL 31 Cb -0.63 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3dga s VAL 31 CO 0.61 0.60 -0.07 -0.36 0.00 0.00 0.00 175.10 175.88 3dga s PHE 32 N -0.95 2.65 0.32 5.22 0.08 -1.26 -5.00 117.98 119.04 3dga s PHE 32 Ca 0.14 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 3dga s PHE 32 Cb -0.12 -1.26 0.05 0.00 -0.57 0.00 0.00 43.02 41.13 3dga s PHE 32 CO 0.04 0.55 0.71 0.27 -0.10 0.00 0.00 175.22 176.68 3dga n ASN 33 N -0.22 -1.95 0.25 1.36 0.23 -1.26 -5.02 115.26 108.67 3dga n ASN 33 Ca -0.09 -2.32 0.11 0.00 -0.53 0.00 0.00 54.58 51.76 3dga n ASN 33 Cb 0.56 3.23 0.68 0.00 -2.08 0.00 0.00 39.78 42.18 3dga n ASN 33 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3dga h ASN 34 N 1.72 0.00 0.82 0.53 2.35 -1.98 -1.95 115.58 117.06 3dga h ASN 34 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3dga h ASN 34 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3dga h ASN 34 CO 0.36 0.14 0.00 0.22 -1.65 0.00 0.00 177.43 176.50 3dga h TYR 35 N 0.00 0.00 -0.45 1.19 3.20 -1.95 -2.86 116.97 116.10 3dga h TYR 35 Ca -0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 3dga h TYR 35 Cb 0.36 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3dga h TYR 35 CO 0.00 0.00 0.54 1.15 -1.64 0.00 0.00 178.16 178.21 3dga h THR 36 N 0.00 0.29 -3.35 1.81 2.02 -1.74 -3.25 112.91 108.68 3dga h THR 36 Ca 0.00 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.45 3dga h THR 36 Cb 0.41 0.56 -0.27 0.00 -1.74 0.00 0.00 68.15 67.11 3dga h THR 36 CO 0.00 0.00 -0.40 -0.36 0.37 0.00 0.00 175.52 175.13 3dga s PHE 37 N -4.54 3.34 0.00 3.16 0.08 -1.08 -4.29 117.98 114.65 3dga s PHE 37 Ca -0.04 -1.50 0.00 0.00 0.12 0.00 0.00 56.93 55.51 3dga s PHE 37 Cb 0.15 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 3dga s PHE 37 CO 0.51 -0.89 0.77 2.89 -0.10 0.00 0.00 175.22 178.39 3dga n ARG 38 N 4.99 0.00 -3.10 0.44 1.85 -0.26 -4.80 116.66 115.79 3dga n ARG 38 Ca -0.10 -0.57 -0.41 0.00 -1.00 0.00 0.00 57.85 55.77 3dga n ARG 38 Cb 0.42 -0.29 -0.06 0.00 -1.05 0.00 0.00 32.46 31.48 3dga n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3dga s GLY 39 N -0.56 1.78 -0.18 2.89 0.00 -0.50 -2.66 107.32 108.10 3dga s GLY 39 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 44.72 44.08 3dga s GLY 39 CO 0.00 1.48 -0.24 1.04 0.00 0.00 0.00 173.10 175.38 3dga n LEU 40 N 5.85 1.37 -3.75 0.66 4.77 -0.85 -2.19 117.00 122.86 3dga n LEU 40 Ca -0.00 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3dga n LEU 40 Cb 0.49 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3dga n LEU 40 CO 0.45 0.30 0.24 -0.83 -1.33 0.00 0.00 177.39 176.22 3dga s GLY 41 N -5.26 -0.06 -0.14 -0.72 0.00 -1.17 -4.23 107.32 95.73 3dga s GLY 41 Ca -0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 3dga s GLY 41 CO 0.33 -0.31 0.28 0.21 0.00 0.00 0.00 173.10 173.61 3dga s ASN 42 N -2.88 0.33 -1.20 1.64 2.47 0.41 -1.95 114.94 113.76 3dga s ASN 42 Ca 0.09 0.59 -0.01 0.00 0.42 0.00 0.00 52.86 53.95 3dga s ASN 42 Cb -0.00 0.77 -0.01 0.00 -1.45 0.00 0.00 41.25 40.56 3dga s ASN 42 CO -0.03 -0.25 0.91 0.29 -3.72 0.00 0.00 177.10 174.30 3dga n LYS 43 N 5.35 -5.44 -0.37 0.43 5.02 -1.26 -2.36 118.16 119.54 3dga n LYS 43 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3dga n LYS 43 Cb 0.50 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 3dga n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dga n GLY 44 N -1.27 1.86 0.00 0.72 0.00 -1.26 -4.96 105.19 100.27 3dga n GLY 44 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3dga n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dga n VAL 45 N -2.00 0.00 -2.71 1.61 0.24 -0.99 -4.74 118.33 109.74 3dga n VAL 45 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 3dga n VAL 45 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3dga n VAL 45 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dga s LEU 46 N 0.00 4.63 0.10 1.34 1.43 -1.26 0.16 118.68 125.08 3dga s LEU 46 Ca 0.00 2.00 -0.32 0.00 -1.03 0.00 0.00 54.13 54.77 3dga s LEU 46 Cb 0.00 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 3dga s LEU 46 CO 0.00 0.11 1.59 -0.65 0.23 0.00 0.00 176.35 177.63 3dga h PRO 47 N 4.12 -0.75 -7.35 1.29 0.11 -1.84 -3.41 132.00 124.18 3dga h PRO 47 Ca -0.45 0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.20 3dga h PRO 47 Cb 1.20 0.17 0.08 0.00 0.11 0.00 0.00 31.00 32.56 3dga h PRO 47 CO 0.68 -0.50 0.39 1.67 -0.21 0.00 0.00 178.00 180.03 3dga s TRP 48 N -5.92 3.36 -0.02 0.65 -2.14 -1.26 -4.78 118.94 108.84 3dga s TRP 48 Ca -0.17 1.36 -0.22 0.00 2.66 0.00 0.00 56.10 59.73 3dga s TRP 48 Cb 0.06 -2.80 -0.15 0.00 -3.10 0.00 0.00 33.47 27.48 3dga s TRP 48 CO 0.62 -0.96 1.00 0.87 -2.66 0.00 0.00 176.95 175.83 3dga h LYS 49 N -0.50 -0.41 -3.42 3.25 1.57 -1.99 -3.48 116.57 111.58 3dga h LYS 49 Ca -0.44 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 3dga h LYS 49 Cb 1.20 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 3dga h LYS 49 CO 0.59 -0.08 0.09 0.00 -0.57 0.00 0.00 179.45 179.49 3dga s ASN 51 N -3.12 -1.10 0.48 0.00 3.84 -1.26 -4.92 114.94 108.86 3dga s ASN 51 Ca 0.21 -0.64 0.27 0.00 0.21 0.00 0.00 52.86 52.91 3dga s ASN 51 Cb -0.03 1.41 1.33 0.00 -0.55 0.00 0.00 41.25 43.40 3dga s ASN 51 CO 0.14 -0.11 1.83 0.77 -2.79 0.00 0.00 177.10 176.94 3dga h SER 52 N 6.23 0.19 0.04 -4.21 4.64 -1.97 0.13 113.55 118.60 3dga h SER 52 Ca 0.02 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dga h SER 52 Cb 1.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3dga h SER 52 CO 0.03 0.05 -0.02 0.25 -0.87 0.00 0.00 176.83 176.27 3dga h LEU 53 N 0.18 -0.04 -1.67 5.97 5.85 -1.95 0.27 115.31 123.91 3dga h LEU 53 Ca 0.52 -0.62 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3dga h LEU 53 Cb 1.70 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3dga h LEU 53 CO -0.12 0.63 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.75 3dga h ASP 54 N -0.75 0.10 -0.44 1.25 3.58 -1.83 -0.32 116.42 118.00 3dga h ASP 54 Ca -0.00 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 3dga h ASP 54 Cb 0.65 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 3dga h ASP 54 CO 0.01 0.20 -0.29 -0.03 -2.88 0.00 0.00 179.24 176.25 3dga h MET 55 N 0.10 0.98 -0.30 0.28 4.05 -0.71 -1.41 114.93 117.92 3dga h MET 55 Ca 0.02 -0.46 -0.07 0.00 -0.28 0.00 0.00 59.70 58.91 3dga h MET 55 Cb 0.22 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3dga h MET 55 CO 0.01 1.13 -0.10 -0.22 0.23 0.00 0.00 176.91 177.95 3dga h LYS 56 N 0.82 0.60 -0.09 0.39 3.64 -0.02 -2.66 116.57 119.26 3dga h LYS 56 Ca 0.09 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3dga h LYS 56 Cb 0.88 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3dga h LYS 56 CO 0.08 0.81 -0.09 -0.92 -2.27 0.00 0.00 179.45 177.06 3dga h TYR 57 N 0.36 -0.21 -0.15 1.91 3.20 -0.99 -2.04 116.97 119.05 3dga h TYR 57 Ca 0.07 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3dga h TYR 57 Cb 0.61 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 3dga h TYR 57 CO 0.06 -0.13 -0.36 0.35 -1.64 0.00 0.00 178.16 176.43 3dga h PHE 58 N -0.11 -1.02 -0.56 -3.82 3.57 -1.20 -0.74 116.94 113.06 3dga h PHE 58 Ca 0.06 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.71 3dga h PHE 58 Cb 0.20 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 3dga h PHE 58 CO -0.19 -0.43 0.11 0.00 -2.23 0.00 0.00 178.31 175.56 3dga h ALA 60 N 1.45 -0.54 -0.43 0.00 0.00 -0.63 -2.14 119.26 116.97 3dga h ALA 60 Ca 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dga h ALA 60 Cb 0.42 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dga h ALA 60 CO -0.38 -0.78 0.19 0.28 0.00 0.00 0.00 179.25 178.55 3dga h VAL 61 N -0.58 1.19 0.00 0.00 2.07 -0.92 -1.54 116.25 116.48 3dga h VAL 61 Ca -0.06 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3dga h VAL 61 Cb 0.43 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3dga h VAL 61 CO 0.09 0.21 0.00 0.35 0.02 0.00 0.00 177.57 178.24 3dga n THR 62 N -4.64 0.00 0.00 2.57 -2.24 -0.14 -3.64 114.28 106.20 3dga n THR 62 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3dga n THR 62 Cb 0.13 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3dga n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dga n THR 63 N -1.13 0.00 -2.20 4.28 -2.24 -0.81 -4.59 114.28 107.59 3dga n THR 63 Ca 0.19 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3dga n THR 63 Cb 0.17 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3dga n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dga s TYR 64 N -1.05 3.24 -0.02 4.78 5.04 -0.59 -4.76 117.35 124.00 3dga s TYR 64 Ca 0.00 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.76 3dga s TYR 64 Cb 0.00 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.69 3dga s TYR 64 CO 0.00 -2.01 0.08 0.08 -1.34 0.00 0.00 175.55 172.37 3dga s VAL 65 N 0.31 0.04 -0.73 3.14 1.01 -1.26 -4.83 120.40 118.08 3dga s VAL 65 Ca 0.58 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3dga s VAL 65 Cb -0.37 -0.22 0.18 0.00 0.00 0.00 0.00 36.38 35.97 3dga s VAL 65 CO 0.37 -0.16 0.53 -3.20 0.00 0.00 0.00 175.10 172.64 3dga n ASN 66 N 2.48 3.18 -0.51 3.32 2.85 -1.26 -4.96 115.26 120.36 3dga n ASN 66 Ca -0.16 -3.21 0.43 0.00 -0.11 0.00 0.00 54.58 51.52 3dga n ASN 66 Cb 0.58 -0.79 0.75 0.00 1.24 0.00 0.00 39.78 41.56 3dga n ASN 66 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3dga h GLU 67 N 5.42 0.03 0.00 1.20 5.08 -1.99 0.65 114.58 124.98 3dga h GLU 67 Ca 0.15 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3dga h GLU 67 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3dga h GLU 67 CO 0.74 0.02 -0.21 0.66 -1.00 0.00 0.00 179.01 179.22 3dga h SER 68 N 0.04 0.00 -0.12 1.42 4.64 -2.05 -2.55 113.55 114.93 3dga h SER 68 Ca 0.77 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 3dga h SER 68 Cb 2.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.01 3dga h SER 68 CO -0.09 0.21 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 3dga n LYS 69 N -3.41 1.88 -0.02 4.77 4.76 0.23 -4.36 118.16 122.01 3dga n LYS 69 Ca -0.00 -1.30 -0.17 0.00 -2.87 0.00 0.00 58.31 53.97 3dga n LYS 69 Cb 0.41 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.07 3dga n LYS 69 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3dga h TYR 70 N 2.85 0.84 -0.88 2.13 3.20 -1.40 -3.31 116.97 120.40 3dga h TYR 70 Ca 0.00 -0.38 0.19 0.00 3.14 0.00 0.00 58.73 61.68 3dga h TYR 70 Cb 0.62 -0.13 -0.11 0.00 1.54 0.00 0.00 36.73 38.65 3dga h TYR 70 CO 0.07 1.19 0.41 0.93 -1.64 0.00 0.00 178.16 179.13 3dga h GLU 71 N 0.26 0.48 -0.95 1.82 4.39 -1.76 0.19 114.58 119.01 3dga h GLU 71 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3dga h GLU 71 Cb 1.28 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 3dga h GLU 71 CO 0.13 0.31 0.61 0.87 -1.16 0.00 0.00 179.01 179.77 3dga h LYS 72 N 0.49 1.26 -0.02 2.33 1.79 -1.87 -1.45 116.57 119.10 3dga h LYS 72 Ca 0.52 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.90 3dga h LYS 72 Cb 0.91 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3dga h LYS 72 CO -0.46 0.85 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.67 3dga h LEU 73 N 1.29 0.05 -0.20 2.94 3.38 -0.78 -1.53 115.31 120.46 3dga h LEU 73 Ca 0.34 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dga h LEU 73 Cb -0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dga h LEU 73 CO -0.07 0.46 0.13 0.50 0.09 0.00 0.00 178.44 179.55 3dga h LYS 74 N -0.37 0.26 -0.46 1.13 3.64 -1.12 0.10 116.57 119.75 3dga h LYS 74 Ca 0.00 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3dga h LYS 74 Cb 0.44 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.13 3dga h LYS 74 CO 0.00 0.17 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.39 3dga h TYR 75 N 0.26 -0.10 -0.46 1.91 3.20 -1.29 0.70 116.97 121.20 3dga h TYR 75 Ca 0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3dga h TYR 75 Cb -0.03 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3dga h TYR 75 CO -0.07 -0.13 0.29 -0.22 -1.64 0.00 0.00 178.16 176.39 3dga h LYS 76 N 0.07 0.62 -0.22 1.82 3.64 -0.65 -2.59 116.57 119.27 3dga h LYS 76 Ca 0.23 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3dga h LYS 76 Cb 0.34 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3dga h LYS 76 CO -0.41 0.44 -0.14 0.00 -2.27 0.00 0.00 179.45 177.07 3dga h ARG 77 N 0.62 0.48 0.08 1.90 3.08 -0.11 -2.86 114.38 117.57 3dga h ARG 77 Ca 0.17 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dga h ARG 77 Cb -0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3dga h ARG 77 CO -0.03 0.78 -0.05 0.00 -1.07 0.00 0.00 179.97 179.61 3dga h LYS 79 N -0.12 0.73 -0.54 0.00 3.64 -1.51 0.92 116.57 119.69 3dga h LYS 79 Ca -0.01 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3dga h LYS 79 Cb 0.10 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3dga h LYS 79 CO 0.01 0.48 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.76 3dga h TYR 80 N 0.75 1.00 -0.18 1.91 3.20 -1.14 -2.50 116.97 120.00 3dga h TYR 80 Ca 0.56 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.27 3dga h TYR 80 Cb 0.88 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3dga h TYR 80 CO -0.00 0.90 0.00 1.28 -1.64 0.00 0.00 178.16 178.70 3dga n LEU 81 N -4.19 1.51 -3.44 2.82 4.77 0.10 -4.94 117.00 113.62 3dga n LEU 81 Ca 0.03 -0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 55.13 3dga n LEU 81 Cb 0.33 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3dga n LEU 81 CO 0.43 0.33 -0.00 0.59 -1.33 0.00 0.00 177.39 177.40 3dga n ASN 82 N 0.24 -6.11 -3.59 -1.43 3.02 0.04 -5.02 115.26 102.40 3dga n ASN 82 Ca 0.15 -0.82 -0.16 0.00 -0.03 0.00 0.00 54.58 53.71 3dga n ASN 82 Cb 0.29 -4.36 -0.07 0.00 -0.61 0.00 0.00 39.78 35.03 3dga n ASN 82 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3dga s LYS 83 N -5.04 0.95 0.25 3.52 -2.85 -0.96 -5.03 119.74 110.57 3dga s LYS 83 Ca 0.44 0.09 0.20 0.00 -1.00 0.00 0.00 55.97 55.70 3dga s LYS 83 Cb -0.11 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.17 3dga s LYS 83 CO 0.80 -0.29 1.23 0.93 0.10 0.00 0.00 175.35 178.11 3dga h GLU 84 N 3.23 0.00 -4.92 1.78 4.39 -1.96 -3.33 114.58 113.77 3dga h GLU 84 Ca -0.28 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.12 3dga h GLU 84 Cb 1.16 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.66 3dga h GLU 84 CO 0.39 0.19 -0.70 -0.08 -1.16 0.00 0.00 179.01 177.65 3dga s THR 85 N -3.13 0.97 -0.89 1.13 -1.32 -1.26 -4.99 115.64 106.15 3dga s THR 85 Ca 0.02 -2.02 0.27 0.00 -1.21 0.00 0.00 61.69 58.75 3dga s THR 85 Cb 0.08 -1.87 0.18 0.00 -1.51 0.00 0.00 72.50 69.38 3dga s THR 85 CO 0.75 -0.72 1.72 0.55 -2.21 0.00 0.00 174.62 174.71 3dga n VAL 86 N -0.18 0.19 0.00 5.08 3.14 -1.26 -4.75 118.33 120.56 3dga n VAL 86 Ca -0.10 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 3dga n VAL 86 Cb 0.61 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 3dga n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3dga n ASP 87 N -1.76 0.00 0.11 6.55 5.68 -1.26 -4.64 116.55 121.23 3dga n ASP 87 Ca 0.06 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.33 3dga n ASP 87 Cb 0.37 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.56 3dga n ASP 87 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3dga h ASN 88 N 0.00 0.19 -0.23 -1.12 7.08 -2.02 -3.53 115.58 115.95 3dga h ASN 88 Ca 0.00 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 3dga h ASN 88 Cb 0.00 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.19 3dga h ASN 88 CO 0.00 0.65 0.00 -1.54 -2.08 0.00 0.00 177.43 174.46 3dga n SER 95 N -3.96 0.00 0.00 6.14 3.41 -1.26 -4.93 113.62 113.02 3dga n SER 95 Ca -0.02 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3dga n SER 95 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3dga n SER 95 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dga n LYS 96 N 0.00 3.89 -2.19 4.33 5.02 -1.26 -5.07 118.16 122.88 3dga n LYS 96 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3dga n LYS 96 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3dga n LYS 96 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dga s LYS 97 N 1.80 4.23 0.11 1.97 1.02 -1.26 -4.93 119.74 122.68 3dga s LYS 97 Ca 0.00 1.98 -0.31 0.00 0.02 0.00 0.00 55.97 57.66 3dga s LYS 97 Cb 0.00 -3.79 -0.10 0.00 -0.52 0.00 0.00 37.83 33.42 3dga s LYS 97 CO 0.00 -0.72 1.76 -1.17 -0.92 0.00 0.00 175.35 174.30 3dga s LEU 98 N 3.35 4.39 0.17 3.17 2.96 -1.26 -4.97 118.68 126.49 3dga s LEU 98 Ca 0.65 2.67 0.07 0.00 -0.22 0.00 0.00 54.13 57.30 3dga s LEU 98 Cb -0.30 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 3dga s LEU 98 CO 0.24 -0.96 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.08 3dga s GLN 99 N 2.57 1.20 0.60 1.98 -0.21 -1.26 -4.86 119.66 119.69 3dga s GLN 99 Ca 0.78 -1.46 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 3dga s GLN 99 Cb -0.44 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.57 3dga s GLN 99 CO 0.35 0.17 0.93 -0.80 -2.12 0.00 0.00 175.29 173.82 3dga s ASN 100 N -3.01 5.65 -0.00 5.90 0.01 -1.26 -1.76 114.94 120.47 3dga s ASN 100 Ca 0.17 0.83 0.01 0.00 -0.71 0.00 0.00 52.86 53.17 3dga s ASN 100 Cb -0.02 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 3dga s ASN 100 CO 0.05 -1.06 0.01 -0.69 -1.51 0.00 0.00 177.10 173.90 3dga s VAL 101 N -3.04 4.25 -0.09 1.60 1.01 0.76 -1.49 120.40 123.39 3dga s VAL 101 Ca 0.54 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3dga s VAL 101 Cb -0.11 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3dga s VAL 101 CO 0.47 0.37 -0.13 0.68 0.00 0.00 0.00 175.10 176.48 3dga s VAL 102 N -1.11 1.30 -0.09 2.92 -7.23 -0.67 -0.50 120.40 115.01 3dga s VAL 102 Ca 0.20 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 3dga s VAL 102 Cb -0.12 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 3dga s VAL 102 CO 0.11 0.40 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.44 3dga s VAL 103 N 0.97 2.75 0.17 1.32 1.01 -0.08 -1.02 120.40 125.52 3dga s VAL 103 Ca -0.08 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3dga s VAL 103 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3dga s VAL 103 CO -0.00 0.55 0.29 0.00 0.00 0.00 0.00 175.10 175.94 3dga s MET 104 N -0.03 1.17 0.50 2.72 0.23 -0.98 -0.98 119.30 121.92 3dga s MET 104 Ca -0.05 -1.19 -0.08 0.00 -1.03 0.00 0.00 55.69 53.34 3dga s MET 104 Cb -0.14 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 33.49 3dga s MET 104 CO 0.04 -0.43 0.85 0.20 -2.03 0.00 0.00 175.02 173.65 3dga s GLY 105 N -2.97 1.67 0.20 3.16 0.00 0.04 -0.78 107.32 108.63 3dga s GLY 105 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 3dga s GLY 105 CO 0.01 -0.11 1.74 -0.09 0.00 0.00 0.00 173.10 174.65 3dga h ARG 106 N 0.38 0.37 -0.46 2.90 2.43 -1.91 0.99 114.38 119.08 3dga h ARG 106 Ca -0.46 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3dga h ARG 106 Cb 1.20 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 3dga h ARG 106 CO 0.62 0.24 0.14 1.15 -1.51 0.00 0.00 179.97 180.62 3dga h THR 107 N 0.38 0.82 -0.04 0.20 2.02 -1.93 0.46 112.91 114.81 3dga h THR 107 Ca 0.28 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 3dga h THR 107 Cb 0.33 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3dga h THR 107 CO -0.29 0.05 -0.20 0.28 0.37 0.00 0.00 175.52 175.74 3dga h SER 108 N 0.30 0.06 -0.16 4.18 0.02 -1.56 -2.34 113.55 114.05 3dga h SER 108 Ca 0.22 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 3dga h SER 108 Cb 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3dga h SER 108 CO -0.25 0.27 -0.39 -0.25 -1.14 0.00 0.00 176.83 175.07 3dga h TRP 109 N 0.06 0.70 -0.42 3.45 2.91 0.12 -3.21 115.95 119.56 3dga h TRP 109 Ca 0.01 -0.27 -0.05 0.00 1.13 0.00 0.00 58.89 59.71 3dga h TRP 109 Cb 0.40 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 3dga h TRP 109 CO 0.00 1.02 0.07 0.93 -1.03 0.00 0.00 178.44 179.42 3dga h GLU 110 N 0.18 0.69 0.00 2.65 5.08 -0.90 -2.59 114.58 119.70 3dga h GLU 110 Ca -0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3dga h GLU 110 Cb 1.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3dga h GLU 110 CO 0.09 0.73 0.02 -1.13 -1.00 0.00 0.00 179.01 177.72 3dga n SER 111 N -4.50 0.34 -4.71 1.42 3.41 -0.89 -4.57 113.62 104.11 3dga n SER 111 Ca -0.00 0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 58.83 3dga n SER 111 Cb 0.24 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3dga n SER 111 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dga s ILE 112 N -3.32 4.53 0.20 -1.33 1.01 -0.98 -4.98 121.20 116.34 3dga s ILE 112 Ca -0.01 1.83 -0.32 0.00 0.00 0.00 0.00 60.65 62.15 3dga s ILE 112 Cb 0.04 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 3dga s ILE 112 CO 0.12 0.15 1.67 -2.16 0.00 0.00 0.00 174.94 174.72 3dga s PRO 113 N 0.96 4.15 0.07 2.79 0.04 -1.26 -4.88 135.00 136.86 3dga s PRO 113 Ca 0.54 2.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.99 3dga s PRO 113 Cb -0.24 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3dga s PRO 113 CO 0.29 -0.70 1.07 1.63 0.04 0.00 0.00 177.00 179.33 3dga n LYS 114 N 3.81 -0.18 -0.33 4.56 5.02 -1.26 -1.20 118.16 128.58 3dga n LYS 114 Ca 0.15 1.06 0.25 0.00 -2.02 0.00 0.00 58.31 57.74 3dga n LYS 114 Cb 0.36 -1.56 0.54 0.00 -0.02 0.00 0.00 35.03 34.35 3dga n LYS 114 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3dga h LYS 115 N 0.00 0.32 -0.84 1.97 3.64 -2.03 1.70 116.57 121.33 3dga h LYS 115 Ca 0.07 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 3dga h LYS 115 Cb 0.17 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 31.79 3dga h LYS 115 CO -0.39 0.21 0.28 1.19 -2.27 0.00 0.00 179.45 178.47 3dga n PHE 116 N -4.58 2.11 0.00 1.91 3.72 -0.34 -4.93 117.46 115.34 3dga n PHE 116 Ca 0.26 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 3dga n PHE 116 Cb 0.95 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3dga n PHE 116 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3dga n LYS 117 N -0.19 0.00 -1.38 -1.08 3.00 0.58 -3.88 118.16 115.21 3dga n LYS 117 Ca 0.36 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 58.16 3dga n LYS 117 Cb 1.25 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 36.16 3dga n LYS 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3dga n PRO 118 N 0.00 0.20 -1.37 1.64 -0.04 -1.26 -4.45 135.00 129.72 3dga n PRO 118 Ca 0.00 0.04 -0.56 0.00 -0.04 0.00 0.00 63.50 62.93 3dga n PRO 118 Cb 0.00 -1.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 3dga n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dga n LEU 119 N 9.27 0.92 -4.46 1.53 4.77 -1.25 -4.81 117.00 122.97 3dga n LEU 119 Ca 0.56 0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 57.05 3dga n LEU 119 Cb 0.05 -0.77 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3dga n LEU 119 CO 0.88 -0.71 0.04 -1.54 -1.33 0.00 0.00 177.39 174.73 3dga n SER 120 N 4.45 -1.16 -3.18 -1.43 3.41 -1.26 -3.06 113.62 111.39 3dga n SER 120 Ca 0.34 0.69 -0.18 0.00 -0.26 0.00 0.00 58.87 59.45 3dga n SER 120 Cb -0.05 -1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 62.71 3dga n SER 120 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dga n ASN 121 N 0.31 -2.64 -3.80 4.04 5.03 -1.26 -4.93 115.26 112.01 3dga n ASN 121 Ca 0.11 -0.19 -0.13 0.00 0.87 0.00 0.00 54.58 55.24 3dga n ASN 121 Cb 0.48 -2.26 -0.13 0.00 -1.02 0.00 0.00 39.78 36.85 3dga n ASN 121 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3dga s ARG 122 N -5.78 0.17 -0.80 3.52 0.52 -1.17 -4.43 118.95 110.97 3dga s ARG 122 Ca 0.30 0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.51 3dga s ARG 122 Cb -0.17 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 3dga s ARG 122 CO 0.37 -0.05 1.76 0.42 0.02 0.00 0.00 175.30 177.82 3dga s ILE 123 N 0.28 3.52 -0.00 1.52 1.01 -0.56 -4.82 121.20 122.15 3dga s ILE 123 Ca -0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 3dga s ILE 123 Cb -0.03 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 3dga s ILE 123 CO -0.01 -1.20 1.39 0.20 0.00 0.00 0.00 174.94 175.32 3dga s ASN 124 N 7.05 6.86 -0.09 3.58 0.01 -1.26 -1.68 114.94 129.41 3dga s ASN 124 Ca 0.61 2.10 -0.00 0.00 -0.71 0.00 0.00 52.86 54.86 3dga s ASN 124 Cb -0.08 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3dga s ASN 124 CO 0.07 -0.71 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.19 3dga s VAL 125 N 2.36 0.89 -0.27 1.60 1.01 -0.19 -1.43 120.40 124.38 3dga s VAL 125 Ca 0.63 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3dga s VAL 125 Cb -0.31 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3dga s VAL 125 CO 0.26 0.34 0.04 -0.63 0.00 0.00 0.00 175.10 175.11 3dga s ILE 126 N 1.56 3.75 -0.55 2.22 1.01 0.16 -2.32 121.20 127.04 3dga s ILE 126 Ca 0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3dga s ILE 126 Cb -0.13 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3dga s ILE 126 CO -0.06 0.19 1.13 -0.22 0.00 0.00 0.00 174.94 175.99 3dga s LEU 127 N 1.49 3.61 -0.15 2.97 2.96 0.04 -1.52 118.68 128.08 3dga s LEU 127 Ca 0.03 0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3dga s LEU 127 Cb -0.16 -3.22 0.05 0.00 0.50 0.00 0.00 46.19 43.36 3dga s LEU 127 CO 0.01 -1.37 0.37 -0.55 -1.32 0.00 0.00 176.35 173.49 3dga s SER 128 N 2.78 -0.43 0.00 3.68 0.15 -0.89 -3.29 113.70 115.70 3dga s SER 128 Ca 0.42 0.78 0.27 0.00 0.70 0.00 0.00 55.95 58.13 3dga s SER 128 Cb -0.08 0.70 0.97 0.00 -1.71 0.00 0.00 66.02 65.91 3dga s SER 128 CO 0.26 -0.17 1.72 0.54 1.20 0.00 0.00 173.24 176.79 3dga n ARG 129 N 3.81 0.33 0.00 5.44 1.74 -1.26 -4.13 116.66 122.59 3dga n ARG 129 Ca -0.20 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3dga n ARG 129 Cb 0.56 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3dga n ARG 129 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dga n THR 130 N -1.22 0.00 -2.11 0.55 -2.24 -1.26 -5.04 114.28 102.95 3dga n THR 130 Ca 0.10 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 3dga n THR 130 Cb 0.32 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3dga n THR 130 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dga s LEU 131 N -2.83 3.94 -0.06 3.22 1.43 -1.26 -5.02 118.68 118.10 3dga s LEU 131 Ca 0.00 2.44 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 3dga s LEU 131 Cb 0.00 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3dga s LEU 131 CO 0.00 -1.14 0.10 -0.54 0.23 0.00 0.00 176.35 174.99 3dga s LYS 132 N -2.80 3.22 0.61 1.70 3.01 -1.26 -4.98 119.74 119.25 3dga s LYS 132 Ca 0.67 -0.32 0.28 0.00 -1.01 0.00 0.00 55.97 55.59 3dga s LYS 132 Cb -0.32 -2.99 1.46 0.00 -1.01 0.00 0.00 37.83 34.97 3dga s LYS 132 CO 0.38 0.71 1.86 0.87 0.51 0.00 0.00 175.35 179.68 3dga h LYS 133 N 4.61 0.00 0.12 1.68 1.79 -1.95 -3.34 116.57 119.48 3dga h LYS 133 Ca -0.52 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.59 3dga h LYS 133 Cb 1.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3dga h LYS 133 CO 0.60 0.00 -1.98 -0.85 -1.08 0.00 0.00 179.45 176.14 3dga n GLU 134 N -3.43 0.76 0.00 3.15 0.28 -1.26 -4.39 120.64 115.75 3dga n GLU 134 Ca 0.05 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 3dga n GLU 134 Cb 0.62 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.77 3dga n GLU 134 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3dga n ASP 135 N -3.46 0.07 -4.55 -1.84 8.00 -1.25 -4.63 116.55 108.89 3dga n ASP 135 Ca -0.31 -0.64 -0.28 0.00 0.71 0.00 0.00 54.79 54.27 3dga n ASP 135 Cb 1.05 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 42.02 3dga n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 136 N -1.78 2.09 0.00 1.24 0.08 -1.26 -5.16 117.98 113.19 3dga s PHE 136 Ca 0.00 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.14 3dga s PHE 136 Cb 0.00 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3dga s PHE 136 CO 0.00 0.17 0.00 -0.25 -0.10 0.00 0.00 175.22 175.04 3dga n ASP 137 N -1.05 -1.18 -0.04 1.36 8.00 -1.26 -4.93 116.55 117.45 3dga n ASP 137 Ca -0.09 -0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.16 3dga n ASP 137 Cb 0.67 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3dga n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dga n GLU 138 N -1.54 0.10 0.02 -1.24 4.71 -1.26 -3.96 120.64 117.46 3dga n GLU 138 Ca 0.00 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.16 57.00 3dga n GLU 138 Cb 0.00 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.81 3dga n GLU 138 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3dga h ASP 139 N 0.18 0.00 -3.24 1.62 5.19 -1.95 -3.45 116.42 114.76 3dga h ASP 139 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 3dga h ASP 139 Cb 0.51 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.98 3dga h ASP 139 CO 0.00 0.98 -0.04 -0.69 -3.12 0.00 0.00 179.24 176.37 3dga s VAL 140 N -2.66 4.80 -0.08 -1.35 1.01 -1.25 -4.27 120.40 116.59 3dga s VAL 140 Ca -0.02 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3dga s VAL 140 Cb 0.09 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3dga s VAL 140 CO 0.82 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.90 3dga s TYR 141 N -0.86 2.53 -0.08 5.22 2.02 -0.51 -4.73 117.35 120.94 3dga s TYR 141 Ca 0.29 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3dga s TYR 141 Cb -0.19 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3dga s TYR 141 CO 0.18 -0.30 0.03 0.42 -1.57 0.00 0.00 175.55 174.30 3dga s ILE 142 N 0.09 4.49 0.29 2.71 -1.09 -1.26 0.39 121.20 126.82 3dga s ILE 142 Ca -0.11 -0.23 0.11 0.00 -2.23 0.00 0.00 60.65 58.19 3dga s ILE 142 Cb -0.16 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 3dga s ILE 142 CO 0.06 0.57 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.55 3dga s ILE 143 N -0.94 2.36 -0.13 2.92 1.01 -0.57 -4.94 121.20 120.90 3dga s ILE 143 Ca 0.15 -2.34 0.11 0.00 0.00 0.00 0.00 60.65 58.57 3dga s ILE 143 Cb -0.11 -2.38 -0.16 0.00 0.01 0.00 0.00 42.46 39.81 3dga s ILE 143 CO 0.04 -0.36 0.03 0.59 0.00 0.00 0.00 174.94 175.25 3dga n ASN 144 N -0.65 1.77 -3.75 3.58 3.02 -1.26 -2.11 115.26 115.86 3dga n ASN 144 Ca -0.05 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.40 3dga n ASN 144 Cb 0.61 0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 40.48 3dga n ASN 144 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dga s LYS 145 N -2.32 0.94 0.12 3.52 1.02 -1.26 -4.59 119.74 117.16 3dga s LYS 145 Ca -0.08 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 3dga s LYS 145 Cb 0.04 0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 3dga s LYS 145 CO 0.54 -0.33 1.63 0.28 -0.92 0.00 0.00 175.35 176.55 3dga h VAL 146 N 2.63 0.38 0.00 3.17 2.07 -2.02 -1.28 116.25 121.20 3dga h VAL 146 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3dga h VAL 146 Cb 1.22 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3dga h VAL 146 CO 0.51 0.00 0.23 1.21 0.02 0.00 0.00 177.57 179.54 3dga n GLU 147 N -5.39 0.10 0.18 1.57 2.13 -1.26 -0.25 120.64 117.72 3dga n GLU 147 Ca -0.06 0.59 0.07 0.00 0.66 0.00 0.00 57.16 58.42 3dga n GLU 147 Cb 0.30 -2.07 0.10 0.00 0.27 0.00 0.00 31.44 30.05 3dga n GLU 147 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3dga h ASP 148 N 0.00 0.00 -0.59 4.31 3.32 -1.65 -3.31 116.42 118.51 3dga h ASP 148 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3dga h ASP 148 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3dga h ASP 148 CO 0.00 0.26 -0.04 0.25 -1.72 0.00 0.00 179.24 177.99 3dga h LEU 149 N 0.00 1.06 -1.92 1.55 5.85 -0.69 -2.84 115.31 118.32 3dga h LEU 149 Ca -0.00 -0.32 0.13 0.00 0.84 0.00 0.00 57.88 58.53 3dga h LEU 149 Cb 1.19 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3dga h LEU 149 CO 0.03 1.13 0.36 0.40 -0.34 0.00 0.00 178.44 180.02 3dga h ILE 150 N 0.97 0.78 -0.04 4.05 1.08 -1.70 -0.27 117.51 122.38 3dga h ILE 150 Ca 0.16 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.59 3dga h ILE 150 Cb 0.61 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3dga h ILE 150 CO 0.04 0.01 -0.05 0.58 -0.69 0.00 0.00 178.15 178.04 3dga h VAL 151 N 0.08 1.40 -0.49 1.67 2.07 -1.69 -2.46 116.25 116.84 3dga h VAL 151 Ca 0.24 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3dga h VAL 151 Cb 0.85 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3dga h VAL 151 CO -0.02 0.34 0.27 0.25 0.02 0.00 0.00 177.57 178.43 3dga h LEU 152 N -0.38 0.58 -0.68 2.57 5.85 -1.13 -2.10 115.31 120.03 3dga h LEU 152 Ca 0.01 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3dga h LEU 152 Cb 0.57 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3dga h LEU 152 CO 0.01 0.46 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.86 3dga h LEU 153 N 0.67 0.06 -0.23 2.25 3.38 -1.10 -2.86 115.31 117.48 3dga h LEU 153 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dga h LEU 153 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3dga h LEU 153 CO -0.03 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.80 3dga n GLY 154 N 0.35 -1.35 0.51 0.83 0.00 -0.81 -2.94 105.19 101.78 3dga n GLY 154 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.05 3dga n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dga n LYS 155 N -1.92 1.69 -4.27 1.61 5.02 -1.10 -4.89 118.16 114.29 3dga n LYS 155 Ca 0.04 -1.58 -0.24 0.00 -2.02 0.00 0.00 58.31 54.51 3dga n LYS 155 Cb 0.28 -1.23 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 3dga n LYS 155 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dga s LEU 156 N -0.94 3.06 -0.56 -0.35 1.43 -1.11 -4.90 118.68 115.31 3dga s LEU 156 Ca 0.17 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 3dga s LEU 156 Cb 0.10 -1.45 0.15 0.00 0.03 0.00 0.00 46.19 45.01 3dga s LEU 156 CO 0.14 -0.26 0.38 0.20 0.23 0.00 0.00 176.35 177.04 3dga s ASN 157 N -3.75 5.34 0.09 2.29 0.01 -1.26 -4.99 114.94 112.66 3dga s ASN 157 Ca 0.36 -2.53 0.02 0.00 -0.71 0.00 0.00 52.86 50.00 3dga s ASN 157 Cb -0.01 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.74 3dga s ASN 157 CO 0.20 -0.46 -0.07 -0.72 -1.51 0.00 0.00 177.10 174.54 3dga s TYR 158 N 0.41 0.87 -0.02 2.20 1.13 -1.26 -4.24 117.35 116.44 3dga s TYR 158 Ca 0.13 -0.79 -0.00 0.00 -1.41 0.00 0.00 57.07 55.01 3dga s TYR 158 Cb -0.21 -0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 40.15 3dga s TYR 158 CO -0.04 -0.11 0.06 -0.92 -2.51 0.00 0.00 175.55 172.03 3dga h TYR 159 N 3.38 -0.01 -3.62 -3.49 3.20 -1.68 -3.48 116.97 111.28 3dga h TYR 159 Ca -0.36 -0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.22 3dga h TYR 159 Cb 1.18 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.29 3dga h TYR 159 CO 0.61 -0.01 -0.71 0.15 -1.64 0.00 0.00 178.16 176.56 3dga s LYS 160 N -1.25 0.92 -0.23 1.82 1.02 -1.26 -4.93 119.74 115.84 3dga s LYS 160 Ca -0.00 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 54.65 3dga s LYS 160 Cb 0.00 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 36.85 3dga s LYS 160 CO 0.01 0.05 -0.09 0.00 -0.92 0.00 0.00 175.35 174.39 3dga s PHE 162 N 1.34 3.15 -0.74 0.00 0.08 0.34 -0.09 117.98 122.06 3dga s PHE 162 Ca 0.02 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.83 3dga s PHE 162 Cb -0.15 -1.98 0.13 0.00 -0.57 0.00 0.00 43.02 40.44 3dga s PHE 162 CO -0.06 0.13 0.87 0.42 -0.10 0.00 0.00 175.22 176.47 3dga s ILE 163 N 0.16 4.89 -1.73 0.64 -1.09 0.30 -0.90 121.20 123.46 3dga s ILE 163 Ca 0.01 -1.37 0.02 0.00 -2.23 0.00 0.00 60.65 57.08 3dga s ILE 163 Cb -0.13 -4.59 0.05 0.00 -1.58 0.00 0.00 42.46 36.21 3dga s ILE 163 CO 0.02 -1.26 0.93 2.30 -1.23 0.00 0.00 174.94 175.70 3dga n ILE 164 N 5.28 0.11 -4.87 2.92 -5.35 -0.16 -2.64 119.36 114.66 3dga n ILE 164 Ca 0.05 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3dga n ILE 164 Cb 0.45 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3dga n ILE 164 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dga n GLY 165 N 0.45 2.56 0.00 3.28 0.00 -1.16 -4.90 105.19 105.43 3dga n GLY 165 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3dga n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dga n GLY 166 N 0.00 4.37 0.26 -0.02 0.00 -1.26 -0.78 105.19 107.77 3dga n GLY 166 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.29 3dga n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dga h SER 167 N 0.00 0.30 -0.82 1.61 4.64 -1.94 -1.04 113.55 116.30 3dga h SER 167 Ca 0.00 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3dga h SER 167 Cb 0.00 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 3dga h SER 167 CO 0.00 0.15 0.49 0.58 -0.87 0.00 0.00 176.83 177.18 3dga h VAL 168 N 0.47 1.00 -0.60 0.95 2.07 -1.93 -1.51 116.25 116.69 3dga h VAL 168 Ca 0.37 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3dga h VAL 168 Cb 0.50 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3dga h VAL 168 CO -0.35 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.02 3dga h VAL 169 N 0.88 1.26 -0.29 2.57 2.07 -1.53 -2.74 116.25 118.47 3dga h VAL 169 Ca 0.37 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3dga h VAL 169 Cb 0.22 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3dga h VAL 169 CO -0.19 0.40 0.17 1.88 0.02 0.00 0.00 177.57 179.85 3dga h TYR 170 N 0.95 0.38 0.00 1.57 0.05 -0.53 -2.25 116.97 117.14 3dga h TYR 170 Ca 0.18 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3dga h TYR 170 Cb 0.50 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3dga h TYR 170 CO 0.03 0.28 0.00 0.94 -1.05 0.00 0.00 178.16 178.36 3dga n GLN 171 N -4.86 0.00 -0.09 4.88 -0.06 -0.64 -0.73 117.38 115.88 3dga n GLN 171 Ca -0.02 0.77 -0.09 0.00 -2.00 0.00 0.00 57.00 55.67 3dga n GLN 171 Cb 0.05 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 24.72 3dga n GLN 171 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 3dga h GLU 172 N 0.00 -0.30 -0.32 3.69 4.11 -1.52 -1.52 114.58 118.73 3dga h GLU 172 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.48 3dga h GLU 172 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dga h GLU 172 CO 0.00 -0.20 0.21 0.74 0.07 0.00 0.00 179.01 179.84 3dga h PHE 173 N -0.31 0.30 -0.03 2.06 0.04 -1.35 -1.82 116.94 115.83 3dga h PHE 173 Ca 0.15 0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.69 3dga h PHE 173 Cb 0.55 -0.10 0.02 0.00 2.20 0.00 0.00 35.95 38.62 3dga h PHE 173 CO -0.53 0.18 -0.88 -0.07 -0.60 0.00 0.00 178.31 176.42 3dga h LEU 174 N 0.32 0.83 -0.40 1.54 3.38 0.03 -1.51 115.31 119.49 3dga h LEU 174 Ca 0.13 -0.72 -0.17 0.00 0.09 0.00 0.00 57.88 57.21 3dga h LEU 174 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3dga h LEU 174 CO -0.03 1.43 -0.80 1.05 0.09 0.00 0.00 178.44 180.18 3dga h GLU 175 N 0.30 0.04 0.00 1.13 4.11 -1.23 -2.70 114.58 116.24 3dga h GLU 175 Ca -0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.29 3dga h GLU 175 Cb 1.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3dga h GLU 175 CO 0.17 0.82 0.00 1.63 0.07 0.00 0.00 179.01 181.70 3dga n LYS 176 N -3.61 0.89 -2.99 1.06 5.02 -0.69 -4.89 118.16 112.95 3dga n LYS 176 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 3dga n LYS 176 Cb 0.77 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 34.40 3dga n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dga n LYS 177 N -0.89 -3.90 -0.52 1.97 4.76 -1.02 -4.88 118.16 113.68 3dga n LYS 177 Ca 0.17 0.78 0.05 0.00 -2.87 0.00 0.00 58.31 56.44 3dga n LYS 177 Cb 0.08 -5.56 0.26 0.00 -1.84 0.00 0.00 35.03 27.97 3dga n LYS 177 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dga n LEU 178 N -3.73 3.81 -4.25 -0.35 4.77 -0.58 -4.65 117.00 112.02 3dga n LEU 178 Ca -0.11 -1.93 -0.35 0.00 -0.03 0.00 0.00 56.01 53.60 3dga n LEU 178 Cb 0.61 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 3dga n LEU 178 CO 0.43 0.54 -0.39 -0.63 -1.33 0.00 0.00 177.39 176.01 3dga s ILE 179 N -1.98 3.12 -0.06 -0.08 -1.09 -1.26 -4.57 121.20 115.28 3dga s ILE 179 Ca 0.36 -0.79 -0.09 0.00 -2.23 0.00 0.00 60.65 57.90 3dga s ILE 179 Cb 0.25 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 3dga s ILE 179 CO 0.13 0.29 0.37 0.50 -1.23 0.00 0.00 174.94 175.00 3dga h LYS 180 N 8.07 -0.30 -5.42 2.79 3.64 -0.18 -3.42 116.57 121.75 3dga h LYS 180 Ca -0.37 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.53 3dga h LYS 180 Cb 1.13 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 3dga h LYS 180 CO 0.59 -0.20 -0.64 0.15 -2.27 0.00 0.00 179.45 177.09 3dga s LYS 181 N -2.54 1.65 -0.21 1.90 1.02 -1.26 -1.14 119.74 119.17 3dga s LYS 181 Ca -0.04 -1.89 -0.02 0.00 0.02 0.00 0.00 55.97 54.04 3dga s LYS 181 Cb 0.00 -1.12 0.06 0.00 -0.52 0.00 0.00 37.83 36.26 3dga s LYS 181 CO 0.13 -0.06 0.03 0.42 -0.92 0.00 0.00 175.35 174.95 3dga s ILE 182 N -3.07 0.70 -0.71 2.17 1.01 0.35 -1.59 121.20 120.06 3dga s ILE 182 Ca 0.33 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 3dga s ILE 182 Cb 0.07 -1.19 0.07 0.00 0.01 0.00 0.00 42.46 41.41 3dga s ILE 182 CO 0.14 -0.23 1.05 -0.31 0.00 0.00 0.00 174.94 175.59 3dga s TYR 183 N 1.77 2.64 -0.24 3.97 1.51 0.53 -1.05 117.35 126.49 3dga s TYR 183 Ca -0.01 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.40 3dga s TYR 183 Cb -0.17 -4.36 -0.04 0.00 -0.11 0.00 0.00 41.96 37.27 3dga s TYR 183 CO -0.09 -1.72 0.12 0.12 -1.11 0.00 0.00 175.55 172.87 3dga s PHE 184 N 4.25 3.20 -0.21 2.71 2.19 -0.83 0.14 117.98 129.43 3dga s PHE 184 Ca 0.26 -0.04 -0.11 0.00 0.33 0.00 0.00 56.93 57.37 3dga s PHE 184 Cb -0.14 -2.24 -0.05 0.00 -1.31 0.00 0.00 43.02 39.28 3dga s PHE 184 CO 0.08 -0.10 0.19 0.99 1.83 0.00 0.00 175.22 178.21 3dga s THR 185 N 1.24 5.35 -0.46 0.12 2.01 0.44 -1.07 115.64 123.28 3dga s THR 185 Ca 0.06 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 3dga s THR 185 Cb -0.14 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 68.93 3dga s THR 185 CO 0.05 0.37 0.34 -0.13 -0.69 0.00 0.00 174.62 174.55 3dga s ARG 186 N 0.81 2.68 -0.53 4.92 0.52 0.26 -0.80 118.95 126.81 3dga s ARG 186 Ca 0.10 -1.56 -0.27 0.00 -0.52 0.00 0.00 55.73 53.49 3dga s ARG 186 Cb -0.13 -3.95 0.03 0.00 0.52 0.00 0.00 34.95 31.43 3dga s ARG 186 CO 0.03 -1.08 1.06 0.42 0.02 0.00 0.00 175.30 175.75 3dga s ILE 187 N 1.47 4.24 -1.15 1.52 -1.09 0.25 -2.42 121.20 124.02 3dga s ILE 187 Ca 0.04 0.74 -0.18 0.00 -2.23 0.00 0.00 60.65 59.02 3dga s ILE 187 Cb -0.25 -4.60 0.10 0.00 -1.58 0.00 0.00 42.46 36.13 3dga s ILE 187 CO 0.02 -1.13 1.49 0.21 -1.23 0.00 0.00 174.94 174.30 3dga s ASN 188 N 2.72 6.79 -0.29 3.58 3.84 -0.32 -4.03 114.94 127.23 3dga s ASN 188 Ca 0.39 -2.29 -0.32 0.00 0.21 0.00 0.00 52.86 50.84 3dga s ASN 188 Cb -0.09 -2.50 0.18 0.00 -0.55 0.00 0.00 41.25 38.29 3dga s ASN 188 CO 0.25 -1.12 1.38 -0.94 -2.79 0.00 0.00 177.10 173.88 3dga s SER 189 N 3.93 -0.02 -0.01 -4.21 1.04 -1.26 -4.13 113.70 109.04 3dga s SER 189 Ca 0.45 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 3dga s SER 189 Cb -0.00 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3dga s SER 189 CO -0.01 -0.02 0.32 -0.89 0.98 0.00 0.00 173.24 173.62 3dga s THR 190 N -1.36 5.20 0.17 2.02 2.01 -1.26 -1.14 115.64 121.27 3dga s THR 190 Ca 0.10 0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 3dga s THR 190 Cb -0.01 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3dga s THR 190 CO -0.06 0.48 0.20 -0.31 -0.69 0.00 0.00 174.62 174.24 3dga s TYR 191 N -1.18 0.70 -0.09 4.92 1.51 0.49 -4.92 117.35 118.79 3dga s TYR 191 Ca 0.25 -1.04 -0.27 0.00 -1.01 0.00 0.00 57.07 55.00 3dga s TYR 191 Cb -0.14 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.41 3dga s TYR 191 CO 0.13 -0.66 0.86 -2.00 -1.11 0.00 0.00 175.55 172.76 3dga s GLU 192 N -4.04 4.43 0.03 -0.62 2.12 -1.26 -3.31 118.70 116.05 3dga s GLU 192 Ca 0.24 1.14 0.01 0.00 0.36 0.00 0.00 54.97 56.72 3dga s GLU 192 Cb 0.05 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 3dga s GLU 192 CO 0.04 -0.14 -0.05 0.00 -0.54 0.00 0.00 175.26 174.57 3dga n ASP 194 N 1.38 2.38 -4.17 0.00 5.68 -0.82 -5.00 116.55 116.01 3dga n ASP 194 Ca -0.22 -0.26 -0.26 0.00 -0.50 0.00 0.00 54.79 53.55 3dga n ASP 194 Cb 0.55 1.01 -0.16 0.00 -1.14 0.00 0.00 41.12 41.39 3dga n ASP 194 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3dga s VAL 195 N -1.54 1.44 0.07 2.12 -7.23 -1.06 -5.04 120.40 109.17 3dga s VAL 195 Ca 0.00 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3dga s VAL 195 Cb 0.00 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3dga s VAL 195 CO 0.03 0.41 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.79 3dga s PHE 196 N -0.31 0.80 0.56 2.82 0.40 -1.26 -2.00 117.98 119.00 3dga s PHE 196 Ca 0.04 -0.73 -0.17 0.00 -0.60 0.00 0.00 56.93 55.47 3dga s PHE 196 Cb -0.08 -0.47 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 3dga s PHE 196 CO 0.00 -0.12 1.06 0.12 0.70 0.00 0.00 175.22 176.98 3dga s PHE 197 N -2.61 2.95 0.58 0.36 2.19 -1.09 -4.89 117.98 115.48 3dga s PHE 197 Ca 0.02 1.54 -0.19 0.00 0.33 0.00 0.00 56.93 58.63 3dga s PHE 197 Cb -0.02 -3.06 -0.04 0.00 -1.31 0.00 0.00 43.02 38.59 3dga s PHE 197 CO -0.02 -1.08 1.16 -2.14 1.83 0.00 0.00 175.22 174.97 3dga s PRO 198 N -3.73 3.12 -0.36 10.12 0.02 -1.26 -4.93 135.00 137.98 3dga s PRO 198 Ca 0.66 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 3dga s PRO 198 Cb -0.17 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3dga s PRO 198 CO 0.31 -1.06 1.45 -2.00 -0.33 0.00 0.00 177.00 175.37 3dga s GLU 199 N -3.38 3.64 0.19 5.54 2.12 -1.26 -4.95 118.70 120.60 3dga s GLU 199 Ca 0.74 1.13 -0.31 0.00 0.36 0.00 0.00 54.97 56.89 3dga s GLU 199 Cb -0.27 -4.01 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 3dga s GLU 199 CO 0.31 -1.48 1.41 0.42 -0.54 0.00 0.00 175.26 175.39 3dga s ILE 200 N 5.34 2.95 -0.22 -3.70 1.01 -1.26 -4.98 121.20 120.34 3dga s ILE 200 Ca 0.63 0.74 -0.21 0.00 0.00 0.00 0.00 60.65 61.81 3dga s ILE 200 Cb -0.16 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3dga s ILE 200 CO 0.30 0.09 0.65 0.21 0.00 0.00 0.00 174.94 176.20 3dga s ASN 201 N 0.66 6.66 0.31 3.58 3.84 -1.26 -4.93 114.94 123.80 3dga s ASN 201 Ca 0.62 0.81 0.18 0.00 0.21 0.00 0.00 52.86 54.68 3dga s ASN 201 Cb -0.40 -2.35 0.97 0.00 -0.55 0.00 0.00 41.25 38.92 3dga s ASN 201 CO 0.37 -0.33 1.51 -1.84 -2.79 0.00 0.00 177.10 174.01 3dga n GLU 202 N 5.39 0.12 0.00 0.43 0.28 -1.26 -0.33 120.64 125.27 3dga n GLU 202 Ca -0.00 0.61 0.11 0.00 -0.16 0.00 0.00 57.16 57.71 3dga n GLU 202 Cb 0.49 -1.98 0.07 0.00 1.43 0.00 0.00 31.44 31.44 3dga n GLU 202 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3dga n ASN 203 N -2.15 0.73 -0.13 -1.84 3.02 -1.26 -4.29 115.26 109.34 3dga n ASN 203 Ca -0.01 -0.59 -0.24 0.00 -0.03 0.00 0.00 54.58 53.71 3dga n ASN 203 Cb 0.13 0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 39.82 3dga n ASN 203 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dga n GLU 204 N -1.53 0.62 -4.20 3.52 1.02 0.55 -4.79 120.64 115.83 3dga n GLU 204 Ca 0.05 0.20 -0.17 0.00 -0.02 0.00 0.00 57.16 57.21 3dga n GLU 204 Cb 0.34 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 3dga n GLU 204 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3dga s TYR 205 N -2.52 1.27 0.00 -0.32 2.02 -0.60 0.17 117.35 117.38 3dga s TYR 205 Ca -0.37 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 55.77 3dga s TYR 205 Cb 0.12 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 3dga s TYR 205 CO 0.55 0.09 0.02 1.14 -1.57 0.00 0.00 175.55 175.78 3dga s GLN 206 N -2.36 0.23 0.09 -0.62 -2.07 -0.83 -4.21 119.66 109.89 3dga s GLN 206 Ca 0.04 -0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 52.98 3dga s GLN 206 Cb -0.06 0.09 -0.06 0.00 -1.09 0.00 0.00 33.01 31.88 3dga s GLN 206 CO 0.02 -0.04 1.17 0.42 -1.32 0.00 0.00 175.29 175.54 3dga s ILE 207 N -0.84 4.00 0.00 3.63 1.01 -1.26 -1.14 121.20 126.60 3dga s ILE 207 Ca -0.09 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.07 3dga s ILE 207 Cb -0.06 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3dga s ILE 207 CO -0.00 0.16 0.00 2.30 0.00 0.00 0.00 174.94 177.40 3dga n ILE 208 N 3.45 0.00 -3.78 2.92 -5.35 -0.55 -4.96 119.36 111.09 3dga n ILE 208 Ca 0.07 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 3dga n ILE 208 Cb 0.46 0.84 -0.12 0.00 -1.74 0.00 0.00 39.64 39.08 3dga n ILE 208 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3dga s SER 209 N -1.28 -0.22 -0.08 7.28 0.01 -1.24 -4.99 113.70 113.18 3dga s SER 209 Ca 0.00 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.71 3dga s SER 209 Cb 0.00 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.66 3dga s SER 209 CO 0.00 -0.10 -0.09 -0.69 0.41 0.00 0.00 173.24 172.77 3dga s VAL 210 N 0.42 1.02 0.32 3.43 1.01 -1.26 -1.28 120.40 124.06 3dga s VAL 210 Ca -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3dga s VAL 210 Cb -0.04 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.43 3dga s VAL 210 CO -0.02 0.35 0.44 -1.54 0.00 0.00 0.00 175.10 174.33 3dga n SER 211 N 4.32 0.32 -4.79 3.32 3.41 -0.53 -5.02 113.62 114.65 3dga n SER 211 Ca -0.19 -1.34 -0.35 0.00 -0.26 0.00 0.00 58.87 56.74 3dga n SER 211 Cb 0.51 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3dga n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dga s ASP 212 N -2.71 6.47 0.29 4.04 2.15 -1.26 -4.78 116.67 120.87 3dga s ASP 212 Ca 0.27 2.01 -0.24 0.00 0.43 0.00 0.00 52.55 55.03 3dga s ASP 212 Cb -0.01 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 3dga s ASP 212 CO 0.19 -0.69 0.86 -0.69 -0.17 0.00 0.00 175.17 174.67 3dga s VAL 213 N -1.81 4.35 0.16 1.11 1.01 -1.26 -4.59 120.40 119.37 3dga s VAL 213 Ca 0.63 1.62 0.02 0.00 0.00 0.00 0.00 61.98 64.25 3dga s VAL 213 Cb -0.20 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3dga s VAL 213 CO 0.24 0.15 0.00 -0.31 0.00 0.00 0.00 175.10 175.18 3dga s TYR 214 N -1.61 1.16 -0.06 5.22 1.51 -0.15 -4.98 117.35 118.45 3dga s TYR 214 Ca 0.48 -1.03 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 3dga s TYR 214 Cb -0.18 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 3dga s TYR 214 CO 0.22 -0.23 -0.21 0.99 -1.11 0.00 0.00 175.55 175.21 3dga s THR 215 N -3.69 1.78 -0.28 -0.71 2.01 -1.26 -0.50 115.64 112.99 3dga s THR 215 Ca 0.23 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 3dga s THR 215 Cb 0.06 -1.53 0.09 0.00 0.01 0.00 0.00 72.50 71.14 3dga s THR 215 CO 0.03 0.50 0.78 -0.55 -0.69 0.00 0.00 174.62 174.69 3dga s SER 216 N 0.11 -0.78 -1.36 3.53 0.15 -0.20 -4.96 113.70 110.20 3dga s SER 216 Ca -0.09 1.32 -0.04 0.00 0.70 0.00 0.00 55.95 57.84 3dga s SER 216 Cb -0.14 1.33 0.02 0.00 -1.71 0.00 0.00 66.02 65.52 3dga s SER 216 CO 0.05 -0.21 0.85 0.59 1.20 0.00 0.00 173.24 175.71 3dga n ASN 217 N 3.70 -2.62 -3.66 5.45 4.13 -1.26 -2.71 115.26 118.29 3dga n ASN 217 Ca -0.18 -0.76 -0.24 0.00 1.68 0.00 0.00 54.58 55.08 3dga n ASN 217 Cb 0.58 -4.23 0.06 0.00 -1.54 0.00 0.00 39.78 34.65 3dga n ASN 217 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3dga n ASN 218 N -3.01 -4.77 -3.55 6.41 3.02 -1.26 -4.99 115.26 107.11 3dga n ASN 218 Ca -0.19 -0.64 -0.15 0.00 -0.03 0.00 0.00 54.58 53.57 3dga n ASN 218 Cb 0.63 -4.67 -0.06 0.00 -0.61 0.00 0.00 39.78 35.07 3dga n ASN 218 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3dga s THR 219 N -3.36 0.00 0.35 3.41 -1.32 -1.10 -5.07 115.64 108.55 3dga s THR 219 Ca 0.45 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3dga s THR 219 Cb -0.21 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 3dga s THR 219 CO 0.76 0.00 0.59 0.42 -2.21 0.00 0.00 174.62 174.18 3dga s THR 220 N -0.91 5.05 0.06 5.08 -4.23 -1.26 -1.03 115.64 118.40 3dga s THR 220 Ca -0.06 -0.19 -0.26 0.00 -1.18 0.00 0.00 61.69 59.99 3dga s THR 220 Cb -0.01 -3.82 0.09 0.00 1.34 0.00 0.00 72.50 70.09 3dga s THR 220 CO 0.06 -0.54 0.75 -1.48 -0.54 0.00 0.00 174.62 172.87 3dga s LEU 221 N -4.15 -0.48 0.19 4.79 2.34 0.34 -1.17 118.68 120.54 3dga s LEU 221 Ca 0.42 0.06 -0.08 0.00 0.06 0.00 0.00 54.13 54.60 3dga s LEU 221 Cb -0.10 2.31 -0.01 0.00 -0.56 0.00 0.00 46.19 47.82 3dga s LEU 221 CO 0.36 -0.77 0.29 1.51 -1.06 0.00 0.00 176.35 176.68 3dga s ASP 222 N -2.46 0.04 -0.17 1.48 1.47 -1.01 -0.97 116.67 115.04 3dga s ASP 222 Ca 0.02 -0.99 0.01 0.00 1.18 0.00 0.00 52.55 52.77 3dga s ASP 222 Cb -0.01 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 43.04 3dga s ASP 222 CO -0.09 -0.93 -0.20 -0.36 0.68 0.00 0.00 175.17 174.27 3dga s PHE 223 N -4.02 2.76 0.33 2.11 0.08 -1.26 -0.57 117.98 117.40 3dga s PHE 223 Ca 0.23 -1.56 0.09 0.00 0.12 0.00 0.00 56.93 55.81 3dga s PHE 223 Cb 0.03 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 3dga s PHE 223 CO 0.04 -0.76 0.02 0.96 -0.10 0.00 0.00 175.22 175.39 3dga s ILE 224 N 1.18 2.82 -0.10 0.64 -4.36 -0.23 -1.46 121.20 119.68 3dga s ILE 224 Ca 0.02 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 3dga s ILE 224 Cb -0.14 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.78 3dga s ILE 224 CO -0.10 -0.23 -0.16 -0.63 0.24 0.00 0.00 174.94 174.05 3dga s ILE 225 N -2.47 1.53 -0.11 8.37 1.01 -0.40 -1.96 121.20 127.17 3dga s ILE 225 Ca 0.34 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 3dga s ILE 225 Cb -0.02 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3dga s ILE 225 CO 0.20 0.45 0.10 -0.31 0.00 0.00 0.00 174.94 175.37 3dga s TYR 226 N 0.84 3.47 -0.09 3.97 2.02 -0.21 -1.47 117.35 125.88 3dga s TYR 226 Ca -0.10 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.05 3dga s TYR 226 Cb -0.15 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3dga s TYR 226 CO 0.01 0.66 -0.13 0.21 -1.57 0.00 0.00 175.55 174.72 3dga s LYS 227 N -1.00 1.95 -0.41 -0.62 2.20 -0.29 -0.50 119.74 121.07 3dga s LYS 227 Ca 0.15 -0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 54.97 3dga s LYS 227 Cb -0.12 -1.66 -0.10 0.00 -1.51 0.00 0.00 37.83 34.44 3dga s LYS 227 CO 0.04 -0.04 2.29 1.17 -0.36 0.00 0.00 175.35 178.45 3dga n LYS 228 N 4.09 1.16 -1.67 4.03 0.00 -0.29 -1.96 118.16 123.51 3dga n LYS 228 Ca -0.20 0.26 -0.39 0.00 0.00 0.00 0.00 58.31 57.98 3dga n LYS 228 Cb 0.51 -2.74 -0.03 0.00 0.00 0.00 0.00 35.03 32.78 3dga n LYS 228 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3dga s THR 229 N 8.68 3.09 -0.26 3.15 -4.23 0.13 -4.83 115.64 121.36 3dga s THR 229 Ca 1.08 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.61 3dga s THR 229 Cb -0.65 -3.18 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 3dga s THR 229 CO 0.42 -0.15 3.12 0.59 -0.54 0.00 0.00 174.62 178.06 3dga n ASN 230 N 13.85 5.95 0.00 3.99 4.13 -1.26 -4.90 115.26 137.02 3dga n ASN 230 Ca 0.32 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.68 3dga n ASN 230 Cb 0.51 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 3dga n ASN 230 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13