#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddb h TYR 5 N 0.00 0.17 -0.29 -2.53 -0.00 -2.05 -2.27 116.97 110.00 2ddb h TYR 5 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.67 2ddb h TYR 5 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.68 2ddb h TYR 5 CO 0.00 0.49 0.09 1.96 -0.00 0.00 0.00 178.16 180.70 2ddb h GLN 6 N 0.13 0.45 -0.51 0.10 4.20 -1.99 0.24 115.11 117.73 2ddb h GLN 6 Ca 0.01 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2ddb h GLN 6 Cb 0.70 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2ddb h GLN 6 CO 0.05 0.51 0.26 -0.22 -0.67 0.00 0.00 178.83 178.77 2ddb h LYS 7 N 0.31 0.73 -0.56 1.46 3.64 -1.95 -2.10 116.57 118.10 2ddb h LYS 7 Ca 0.09 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2ddb h LYS 7 Cb 0.25 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2ddb h LYS 7 CO -0.00 0.59 0.33 1.49 -2.27 0.00 0.00 179.45 179.59 2ddb h GLU 8 N 0.68 0.62 -0.26 1.90 4.81 -1.10 -0.24 114.58 121.00 2ddb h GLU 8 Ca 0.18 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2ddb h GLU 8 Cb 0.09 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2ddb h GLU 8 CO -0.02 0.41 0.01 0.82 -0.73 0.00 0.00 179.01 179.50 2ddb h ILE 9 N 0.64 1.25 -0.24 2.32 2.04 -0.83 -1.82 117.51 120.87 2ddb h ILE 9 Ca 0.23 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2ddb h ILE 9 Cb 0.05 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2ddb h ILE 9 CO -0.11 0.28 -0.08 0.58 0.00 0.00 0.00 178.15 178.82 2ddb h VAL 10 N 0.24 1.29 -0.79 1.67 2.07 -1.23 -2.02 116.25 117.47 2ddb h VAL 10 Ca 0.07 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2ddb h VAL 10 Cb 0.40 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2ddb h VAL 10 CO 0.01 0.34 0.39 0.44 0.02 0.00 0.00 177.57 178.77 2ddb h ASP 11 N 0.21 1.02 -0.21 0.57 3.32 -1.04 -0.31 116.42 119.98 2ddb h ASP 11 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ddb h ASP 11 Cb 0.55 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2ddb h ASP 11 CO 0.03 0.86 0.08 0.50 -1.72 0.00 0.00 179.24 178.99 2ddb h LYS 12 N 1.11 0.32 -0.19 3.56 1.63 -1.28 0.12 116.57 121.84 2ddb h LYS 12 Ca 0.27 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.02 2ddb h LYS 12 Cb 0.10 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2ddb h LYS 12 CO -0.04 0.39 0.08 0.45 -3.45 0.00 0.00 179.45 176.89 2ddb h HIS 13 N 0.18 0.15 -0.34 1.91 3.86 -1.07 -1.32 115.15 118.51 2ddb h HIS 13 Ca 0.07 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2ddb h HIS 13 Cb 0.20 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2ddb h HIS 13 CO -0.01 0.08 -0.13 -0.91 0.86 0.00 0.00 177.93 177.83 2ddb h ASN 14 N 0.18 0.59 -0.39 2.45 2.35 -1.00 0.23 115.58 119.99 2ddb h ASN 14 Ca 0.08 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2ddb h ASN 14 Cb 0.03 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2ddb h ASN 14 CO -0.07 0.75 0.19 0.00 -1.65 0.00 0.00 177.43 176.65 2ddb h ALA 15 N 1.31 0.48 -0.30 -0.83 0.00 -0.81 -1.04 119.26 118.08 2ddb h ALA 15 Ca 0.10 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2ddb h ALA 15 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2ddb h ALA 15 CO 0.03 -0.18 -0.09 -0.07 0.00 0.00 0.00 179.25 178.95 2ddb h LEU 16 N 0.39 0.59 -1.12 0.00 3.38 -0.74 -3.08 115.31 114.73 2ddb h LEU 16 Ca 0.17 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2ddb h LEU 16 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ddb h LEU 16 CO -0.12 0.83 0.15 0.03 0.09 0.00 0.00 178.44 179.41 2ddb h ARG 17 N 0.34 0.77 0.00 1.13 3.08 -0.41 -2.79 114.38 116.50 2ddb h ARG 17 Ca 0.07 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ddb h ARG 17 Cb 0.58 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2ddb h ARG 17 CO 0.03 0.68 -0.12 2.89 -1.07 0.00 0.00 179.97 182.38 2ddb n ARG 18 N -4.30 0.08 -0.30 0.04 1.85 -0.41 -3.81 116.66 109.82 2ddb n ARG 18 Ca 0.04 0.06 0.09 0.00 -1.00 0.00 0.00 57.85 57.03 2ddb n ARG 18 Cb 0.20 -1.59 0.25 0.00 -1.05 0.00 0.00 32.46 30.27 2ddb n ARG 18 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ddb n SER 19 N -1.73 3.54 -4.74 2.89 7.64 -1.06 -4.95 113.62 115.22 2ddb n SER 19 Ca 0.06 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.55 2ddb n SER 19 Cb 0.37 -0.38 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2ddb n SER 19 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ddb s VAL 20 N -1.06 2.33 -0.05 0.44 -7.23 -1.21 -5.03 120.40 108.59 2ddb s VAL 20 Ca 0.38 0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 2ddb s VAL 20 Cb 0.20 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 34.14 2ddb s VAL 20 CO 0.25 -0.05 0.02 -0.54 -0.31 0.00 0.00 175.10 174.47 2ddb s LYS 21 N -3.44 0.34 0.70 4.82 -0.14 -1.26 -3.43 119.74 117.33 2ddb s LYS 21 Ca 0.79 0.19 -0.16 0.00 -1.36 0.00 0.00 55.97 55.42 2ddb s LYS 21 Cb -0.33 -0.73 0.01 0.00 -1.68 0.00 0.00 37.83 35.09 2ddb s LYS 21 CO 0.38 -0.28 1.11 -0.35 -0.76 0.00 0.00 175.35 175.45 2ddb n PRO 22 N 4.99 0.69 -1.59 -1.68 -0.04 -1.26 -5.00 135.00 131.11 2ddb n PRO 22 Ca -0.10 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 2ddb n PRO 22 Cb 0.50 -2.36 0.08 0.00 -0.04 0.00 0.00 33.50 31.68 2ddb n PRO 22 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ddb s THR 23 N -1.70 2.34 -0.08 0.52 -4.23 -1.22 -4.91 115.64 106.35 2ddb s THR 23 Ca 0.77 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 61.45 2ddb s THR 23 Cb -0.35 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 2ddb s THR 23 CO 0.47 -0.08 -0.04 0.00 -0.54 0.00 0.00 174.62 174.43 2ddb s ALA 24 N -1.83 3.11 -0.67 3.99 0.00 -1.23 -1.63 121.76 123.50 2ddb s ALA 24 Ca 0.76 -0.85 0.23 0.00 0.00 0.00 0.00 51.96 52.10 2ddb s ALA 24 Cb -0.31 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.51 2ddb s ALA 24 CO 0.42 0.54 1.04 2.89 0.00 0.00 0.00 175.76 180.66 2ddb n ARG 25 N 2.33 0.25 -1.12 0.00 1.85 0.10 -3.02 116.66 117.05 2ddb n ARG 25 Ca -0.18 -0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.70 2ddb n ARG 25 Cb 0.53 -1.58 0.05 0.00 -1.05 0.00 0.00 32.46 30.41 2ddb n ARG 25 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2ddb n ASN 26 N -1.89 0.96 -4.60 2.89 6.94 -1.26 -1.29 115.26 117.00 2ddb n ASN 26 Ca 0.02 -2.31 -0.43 0.00 -0.02 0.00 0.00 54.58 51.85 2ddb n ASN 26 Cb 0.42 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 2ddb n ASN 26 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2ddb s MET 27 N -0.57 3.57 0.40 -3.83 1.75 -1.26 -4.69 119.30 114.67 2ddb s MET 27 Ca 0.28 1.07 -0.24 0.00 -1.25 0.00 0.00 55.69 55.54 2ddb s MET 27 Cb 0.30 -4.04 -0.09 0.00 2.84 0.00 0.00 34.83 33.85 2ddb s MET 27 CO -0.11 -1.57 1.09 -0.51 -0.65 0.00 0.00 175.02 173.27 2ddb s LEU 28 N 5.57 4.15 0.20 4.11 1.43 -0.67 -0.45 118.68 133.01 2ddb s LEU 28 Ca 0.64 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 55.57 2ddb s LEU 28 Cb -0.16 -4.14 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 2ddb s LEU 28 CO 0.32 -0.56 1.41 -1.58 0.23 0.00 0.00 176.35 176.17 2ddb s GLN 29 N -2.44 4.31 0.26 1.70 0.74 0.58 -4.73 119.66 120.08 2ddb s GLN 29 Ca 0.58 2.20 -0.14 0.00 0.05 0.00 0.00 55.36 58.04 2ddb s GLN 29 Cb -0.25 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.61 2ddb s GLN 29 CO 0.31 -0.40 0.67 -1.64 -0.55 0.00 0.00 175.29 173.68 2ddb s MET 30 N 0.20 3.99 0.04 1.67 -1.94 -1.26 -4.68 119.30 117.33 2ddb s MET 30 Ca 0.61 0.59 -0.01 0.00 -1.71 0.00 0.00 55.69 55.17 2ddb s MET 30 Cb -0.40 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 2ddb s MET 30 CO 0.38 0.27 -0.03 -1.59 -0.01 0.00 0.00 175.02 174.04 2ddb s LYS 31 N -2.65 0.55 0.37 2.03 -2.85 -0.33 -4.97 119.74 111.89 2ddb s LYS 31 Ca 0.49 -1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.11 2ddb s LYS 31 Cb -0.12 0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 35.72 2ddb s LYS 31 CO 0.19 -0.09 1.22 -0.46 0.10 0.00 0.00 175.35 176.31 2ddb s TRP 32 N -3.31 3.07 -0.11 1.78 -0.11 -1.26 -1.52 118.94 117.48 2ddb s TRP 32 Ca 0.02 1.51 0.00 0.00 1.22 0.00 0.00 56.10 58.85 2ddb s TRP 32 Cb 0.03 -3.50 0.02 0.00 -1.50 0.00 0.00 33.47 28.52 2ddb s TRP 32 CO -0.08 -1.52 -0.10 1.21 -4.62 0.00 0.00 176.95 171.85 2ddb s ASN 33 N -0.88 2.19 0.27 5.86 3.84 0.35 -4.80 114.94 121.77 2ddb s ASN 33 Ca 0.54 -0.34 0.02 0.00 0.21 0.00 0.00 52.86 53.29 2ddb s ASN 33 Cb -0.34 -0.91 0.39 0.00 -0.55 0.00 0.00 41.25 39.84 2ddb s ASN 33 CO 0.44 -0.07 1.72 0.28 -2.79 0.00 0.00 177.10 176.68 2ddb h SER 34 N 7.86 0.52 -0.18 -4.21 0.02 -1.97 -1.55 113.55 114.04 2ddb h SER 34 Ca -0.32 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 2ddb h SER 34 Cb 1.15 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2ddb h SER 34 CO 0.45 0.76 0.02 -0.74 -1.14 0.00 0.00 176.83 176.18 2ddb h HIS 35 N 0.46 0.32 -0.69 3.45 -0.00 -1.97 -1.39 115.15 115.34 2ddb h HIS 35 Ca 0.07 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.42 2ddb h HIS 35 Cb 0.66 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 2ddb h HIS 35 CO 0.02 0.46 0.43 0.00 -0.00 0.00 0.00 177.93 178.85 2ddb h ALA 36 N 0.81 0.90 -0.79 5.26 0.00 -1.89 -2.15 119.26 121.40 2ddb h ALA 36 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2ddb h ALA 36 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2ddb h ALA 36 CO 0.00 0.21 0.52 0.00 0.00 0.00 0.00 179.25 179.98 2ddb h ALA 37 N 1.29 1.53 -0.38 0.00 0.00 -1.08 -0.57 119.26 120.05 2ddb h ALA 37 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2ddb h ALA 37 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2ddb h ALA 37 CO -0.10 0.39 -0.28 1.96 0.00 0.00 0.00 179.25 181.22 2ddb h GLN 38 N 0.96 0.86 -0.50 0.00 4.20 -0.88 -0.41 115.11 119.35 2ddb h GLN 38 Ca 0.31 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2ddb h GLN 38 Cb 0.05 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2ddb h GLN 38 CO -0.09 1.06 0.25 -0.91 -0.67 0.00 0.00 178.83 178.47 2ddb h ASN 39 N 0.67 0.65 -0.41 1.46 2.35 -1.09 -1.98 115.58 117.23 2ddb h ASN 39 Ca 0.07 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 2ddb h ASN 39 Cb 0.86 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 2ddb h ASN 39 CO 0.07 0.58 -0.10 0.00 -1.65 0.00 0.00 177.43 176.34 2ddb h ALA 40 N 1.09 0.93 -0.40 -0.83 0.00 -0.96 -2.23 119.26 116.85 2ddb h ALA 40 Ca 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2ddb h ALA 40 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ddb h ALA 40 CO -0.02 0.62 0.16 -0.22 0.00 0.00 0.00 179.25 179.79 2ddb h LYS 41 N 0.78 0.60 -0.85 0.00 3.64 -1.02 0.12 116.57 119.85 2ddb h LYS 41 Ca 0.13 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2ddb h LYS 41 Cb 0.60 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 2ddb h LYS 41 CO 0.04 0.57 0.50 0.00 -2.27 0.00 0.00 179.45 178.28 2ddb h ARG 42 N 0.51 0.81 0.06 1.90 3.08 -1.14 -0.10 114.38 119.50 2ddb h ARG 42 Ca 0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2ddb h ARG 42 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2ddb h ARG 42 CO -0.01 0.54 -0.03 2.35 -1.07 0.00 0.00 179.97 181.75 2ddb h TRP 43 N 0.84 -0.07 -0.86 3.04 2.91 -1.22 -3.33 115.95 117.27 2ddb h TRP 43 Ca 0.41 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.52 2ddb h TRP 43 Cb 0.35 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.95 2ddb h TRP 43 CO -0.05 0.50 0.50 0.00 -1.03 0.00 0.00 178.44 178.36 2ddb h ALA 44 N 0.12 1.23 0.00 2.65 0.00 -0.55 -2.02 119.26 120.69 2ddb h ALA 44 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ddb h ALA 44 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ddb h ALA 44 CO 0.01 0.13 0.00 -0.44 0.00 0.00 0.00 179.25 178.95 2ddb h ASP 45 N 0.83 0.00 1.13 0.00 3.32 -1.13 -1.31 116.42 119.27 2ddb h ASP 45 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2ddb h ASP 45 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2ddb h ASP 45 CO -0.25 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.81 2ddb n ARG 46 N -2.77 0.17 -3.64 3.56 1.74 -0.76 -4.95 116.66 110.01 2ddb n ARG 46 Ca -0.02 0.22 -0.24 0.00 -0.77 0.00 0.00 57.85 57.04 2ddb n ARG 46 Cb 0.07 -1.74 0.07 0.00 -1.02 0.00 0.00 32.46 29.84 2ddb n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ddb s THR 48 N -3.34 1.77 -1.19 0.00 2.01 -1.26 -5.07 115.64 108.56 2ddb s THR 48 Ca 0.48 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 2ddb s THR 48 Cb -0.22 -1.61 0.09 0.00 0.01 0.00 0.00 72.50 70.77 2ddb s THR 48 CO 0.75 0.49 1.57 0.12 -0.69 0.00 0.00 174.62 176.87 2ddb s PHE 49 N 1.14 2.87 0.02 4.92 5.36 -1.26 -4.86 117.98 126.17 2ddb s PHE 49 Ca -0.01 -1.51 -0.28 0.00 -0.96 0.00 0.00 56.93 54.17 2ddb s PHE 49 Cb -0.14 -4.63 0.09 0.00 -0.34 0.00 0.00 43.02 38.00 2ddb s PHE 49 CO -0.06 -1.75 0.78 0.00 -1.46 0.00 0.00 175.22 172.74 2ddb s ALA 50 N 3.83 -1.76 0.28 11.12 0.00 -1.26 -5.15 121.76 128.83 2ddb s ALA 50 Ca 0.48 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2ddb s ALA 50 Cb 0.01 0.35 -0.10 0.00 0.00 0.00 0.00 23.12 23.39 2ddb s ALA 50 CO 0.01 -0.62 1.30 -1.01 0.00 0.00 0.00 175.76 175.44 2ddb s HIS 51 N -2.77 3.16 0.52 0.00 3.76 -1.26 -5.01 115.29 113.68 2ddb s HIS 51 Ca 0.01 1.35 -0.21 0.00 -0.15 0.00 0.00 55.06 56.06 2ddb s HIS 51 Cb -0.01 -3.63 -0.06 0.00 1.11 0.00 0.00 32.58 29.99 2ddb s HIS 51 CO -0.06 -1.81 1.23 -1.54 -0.85 0.00 0.00 174.74 171.71 2ddb s SER 52 N -0.23 5.64 0.28 1.40 1.04 -1.26 -4.98 113.70 115.58 2ddb s SER 52 Ca 0.51 2.46 -0.30 0.00 0.48 0.00 0.00 55.95 59.10 2ddb s SER 52 Cb -0.38 -2.61 -0.12 0.00 0.10 0.00 0.00 66.02 63.00 2ddb s SER 52 CO 0.47 -1.29 1.48 -2.65 0.98 0.00 0.00 173.24 172.23 2ddb n PRO 53 N -0.96 2.35 -0.19 4.02 -0.02 -1.26 -4.88 135.00 134.07 2ddb n PRO 53 Ca 0.10 0.83 0.26 0.00 -2.02 0.00 0.00 63.50 62.67 2ddb n PRO 53 Cb 0.48 -2.54 0.67 0.00 -0.02 0.00 0.00 33.50 32.09 2ddb n PRO 53 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ddb h PRO 54 N 4.28 0.10 0.00 0.52 0.11 -1.94 -0.93 132.00 134.13 2ddb h PRO 54 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ddb h PRO 54 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ddb h PRO 54 CO 0.76 0.06 0.00 -2.95 -0.21 0.00 0.00 178.00 175.66 2ddb h ASN 55 N 0.10 0.00 0.61 -2.05 -1.07 -1.98 -2.45 115.58 108.74 2ddb h ASN 55 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 2ddb h ASN 55 Cb 1.55 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.80 2ddb h ASN 55 CO -0.05 0.00 -0.21 0.35 0.07 0.00 0.00 177.43 177.59 2ddb n THR 56 N -2.92 0.00 -3.00 6.14 -2.24 -0.35 -4.31 114.28 107.61 2ddb n THR 56 Ca 0.01 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 2ddb n THR 56 Cb 0.27 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2ddb n THR 56 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2ddb n ARG 57 N -1.30 2.35 -4.33 -0.78 1.85 -0.92 -4.83 116.66 108.70 2ddb n ARG 57 Ca 0.09 -4.25 -0.30 0.00 -1.00 0.00 0.00 57.85 52.39 2ddb n ARG 57 Cb 0.32 -2.01 -0.11 0.00 -1.05 0.00 0.00 32.46 29.61 2ddb n ARG 57 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2ddb s THR 58 N -3.74 3.12 -0.19 8.89 -4.23 -1.26 -1.47 115.64 116.76 2ddb s THR 58 Ca 0.45 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2ddb s THR 58 Cb 0.32 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.79 2ddb s THR 58 CO -0.11 0.16 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.42 2ddb s VAL 59 N -1.13 0.98 0.00 2.29 1.01 -0.38 -4.92 120.40 118.25 2ddb s VAL 59 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2ddb s VAL 59 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2ddb s VAL 59 CO 0.11 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2ddb n GLY 60 N 4.90 3.24 0.06 4.51 0.00 -1.26 -0.63 105.19 116.01 2ddb n GLY 60 Ca -0.11 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2ddb n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ddb n LYS 61 N 12.50 0.16 -3.58 1.61 3.00 -1.26 -4.90 118.16 125.70 2ddb n LYS 61 Ca 0.00 0.11 -0.38 0.00 -0.00 0.00 0.00 58.31 58.04 2ddb n LYS 61 Cb 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 35.03 33.31 2ddb n LYS 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ddb s LEU 62 N -3.87 4.43 0.27 3.14 1.43 0.20 -5.08 118.68 119.20 2ddb s LEU 62 Ca 0.11 0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 53.76 2ddb s LEU 62 Cb 0.15 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.82 2ddb s LEU 62 CO 0.61 0.31 0.87 -0.60 0.23 0.00 0.00 176.35 177.78 2ddb s ARG 63 N -0.85 4.55 0.05 1.70 3.52 -1.26 -1.25 118.95 125.40 2ddb s ARG 63 Ca 0.21 1.23 0.06 0.00 -0.13 0.00 0.00 55.73 57.10 2ddb s ARG 63 Cb -0.15 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 2ddb s ARG 63 CO 0.10 0.38 -0.13 0.00 -0.81 0.00 0.00 175.30 174.84 2ddb n GLY 65 N 1.35 -0.22 3.64 0.00 0.00 0.20 -4.76 105.19 105.39 2ddb n GLY 65 Ca -0.15 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 2ddb n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ddb s GLU 66 N -4.86 0.75 -0.05 1.61 2.12 -1.26 -1.34 118.70 115.66 2ddb s GLU 66 Ca 0.55 1.10 0.04 0.00 0.36 0.00 0.00 54.97 57.02 2ddb s GLU 66 Cb -0.02 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 2ddb s GLU 66 CO 0.38 -0.12 -0.17 -0.80 -0.54 0.00 0.00 175.26 174.00 2ddb s ASN 67 N 1.07 3.78 0.06 -1.70 0.02 -0.03 -5.00 114.94 113.14 2ddb s ASN 67 Ca -0.05 -0.28 0.07 0.00 -1.02 0.00 0.00 52.86 51.58 2ddb s ASN 67 Cb -0.05 -0.84 -0.03 0.00 0.02 0.00 0.00 41.25 40.35 2ddb s ASN 67 CO -0.11 0.31 -0.20 0.27 0.02 0.00 0.00 177.10 177.39 2ddb s ILE 68 N -0.55 1.64 -0.10 0.60 -4.36 -1.26 -1.51 121.20 115.66 2ddb s ILE 68 Ca 0.08 -1.30 -0.08 0.00 -0.26 0.00 0.00 60.65 59.09 2ddb s ILE 68 Cb -0.11 -1.45 0.03 0.00 1.25 0.00 0.00 42.46 42.17 2ddb s ILE 68 CO 0.01 0.10 0.25 0.12 0.24 0.00 0.00 174.94 175.66 2ddb s PHE 69 N -0.92 -0.29 -0.03 1.37 5.36 -0.56 -5.01 117.98 117.91 2ddb s PHE 69 Ca 0.07 0.70 0.02 0.00 -0.96 0.00 0.00 56.93 56.75 2ddb s PHE 69 Cb -0.09 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 2ddb s PHE 69 CO 0.03 -0.15 -0.08 1.41 -1.46 0.00 0.00 175.22 174.96 2ddb s MET 70 N 0.33 0.92 0.07 10.12 -2.45 -1.26 -0.36 119.30 126.66 2ddb s MET 70 Ca -0.02 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.16 2ddb s MET 70 Cb -0.03 -0.87 -0.04 0.00 1.25 0.00 0.00 34.83 35.14 2ddb s MET 70 CO -0.01 0.08 -0.04 -1.54 1.05 0.00 0.00 175.02 174.55 2ddb s SER 71 N 0.30 0.71 0.04 1.11 1.04 -0.44 -4.98 113.70 111.47 2ddb s SER 71 Ca -0.05 -0.99 0.24 0.00 0.48 0.00 0.00 55.95 55.64 2ddb s SER 71 Cb -0.09 0.16 0.36 0.00 0.10 0.00 0.00 66.02 66.54 2ddb s SER 71 CO 0.01 -0.54 1.30 -1.54 0.98 0.00 0.00 173.24 173.44 2ddb n SER 72 N 0.10 0.59 -4.41 7.02 3.41 -1.26 -0.12 113.62 118.95 2ddb n SER 72 Ca -0.14 -0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.05 2ddb n SER 72 Cb 0.61 0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.78 2ddb n SER 72 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ddb s GLN 73 N -3.08 1.49 0.44 4.33 -1.52 -1.26 -4.24 119.66 115.82 2ddb s GLN 73 Ca 0.08 -1.49 -0.22 0.00 -1.95 0.00 0.00 55.36 51.78 2ddb s GLN 73 Cb 0.16 -1.83 -0.09 0.00 -0.22 0.00 0.00 33.01 31.03 2ddb s GLN 73 CO 0.73 0.40 1.04 -1.25 -0.25 0.00 0.00 175.29 175.96 2ddb s PRO 74 N -2.57 4.00 0.11 2.91 0.04 -1.26 -4.84 135.00 133.39 2ddb s PRO 74 Ca 0.19 1.44 0.09 0.00 0.04 0.00 0.00 61.00 62.76 2ddb s PRO 74 Cb -0.08 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2ddb s PRO 74 CO 0.09 -0.27 -0.22 -0.06 0.04 0.00 0.00 177.00 176.58 2ddb s PHE 75 N -1.81 1.89 0.67 0.56 0.08 -1.26 -5.13 117.98 112.97 2ddb s PHE 75 Ca 0.62 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 57.10 2ddb s PHE 75 Cb -0.19 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2ddb s PHE 75 CO 0.24 0.25 1.15 -1.25 -0.10 0.00 0.00 175.22 175.50 2ddb s PRO 76 N -2.04 2.63 0.37 0.24 0.04 -1.26 -4.85 135.00 130.13 2ddb s PRO 76 Ca 0.09 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.76 2ddb s PRO 76 Cb -0.10 -1.91 0.79 0.00 0.04 0.00 0.00 34.50 33.32 2ddb s PRO 76 CO 0.05 -1.41 1.94 -1.49 0.04 0.00 0.00 177.00 176.13 2ddb h TRP 77 N 0.07 0.73 -0.98 0.56 4.06 -1.97 -1.35 115.95 117.07 2ddb h TRP 77 Ca -0.48 0.02 0.05 0.00 2.06 0.00 0.00 58.89 60.55 2ddb h TRP 77 Cb 1.27 -0.24 -0.06 0.00 -1.00 0.00 0.00 29.16 29.13 2ddb h TRP 77 CO 0.51 0.36 0.64 0.77 -3.56 0.00 0.00 178.44 177.16 2ddb h SER 78 N 0.70 1.03 -0.28 -3.49 0.02 -1.91 -1.52 113.55 108.10 2ddb h SER 78 Ca 0.34 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.14 2ddb h SER 78 Cb 0.39 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2ddb h SER 78 CO -0.12 0.68 -0.35 1.23 -1.14 0.00 0.00 176.83 177.14 2ddb h GLY 79 N 1.19 0.88 0.90 -3.77 0.00 -1.63 -2.08 103.07 98.56 2ddb h GLY 79 Ca 0.41 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2ddb h GLY 79 CO -0.14 0.78 0.08 -2.08 0.00 0.00 0.00 176.54 175.18 2ddb h VAL 80 N 0.68 1.21 -0.69 4.60 2.07 -1.00 -1.28 116.25 121.84 2ddb h VAL 80 Ca 0.07 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2ddb h VAL 80 Cb 0.90 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2ddb h VAL 80 CO 0.08 0.22 0.22 0.58 0.02 0.00 0.00 177.57 178.70 2ddb h VAL 81 N 0.31 1.25 -0.58 2.57 2.07 -1.34 -2.23 116.25 118.30 2ddb h VAL 81 Ca 0.09 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2ddb h VAL 81 Cb 0.26 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2ddb h VAL 81 CO -0.00 0.34 0.19 -0.61 0.02 0.00 0.00 177.57 177.51 2ddb h GLN 82 N 1.01 0.87 -0.40 1.57 5.75 -1.26 -0.74 115.11 121.91 2ddb h GLN 82 Ca 0.22 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2ddb h GLN 82 Cb 0.30 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2ddb h GLN 82 CO -0.01 0.74 0.23 0.00 -2.65 0.00 0.00 178.83 177.14 2ddb h ALA 83 N 1.36 0.51 -0.21 3.38 0.00 -0.81 0.55 119.26 124.04 2ddb h ALA 83 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2ddb h ALA 83 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ddb h ALA 83 CO -0.01 0.01 0.09 -1.49 0.00 0.00 0.00 179.25 177.85 2ddb h TRP 84 N 0.52 0.16 -0.66 0.00 6.55 -1.20 -2.91 115.95 118.41 2ddb h TRP 84 Ca 0.14 0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.04 2ddb h TRP 84 Cb 0.03 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.25 2ddb h TRP 84 CO -0.03 0.09 0.44 -0.92 -1.05 0.00 0.00 178.44 176.96 2ddb h TYR 85 N 0.20 0.72 0.00 0.49 5.03 -0.70 -2.84 116.97 119.87 2ddb h TYR 85 Ca 0.09 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.42 2ddb h TYR 85 Cb 0.04 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.08 2ddb h TYR 85 CO -0.11 0.40 0.00 -0.25 -1.32 0.00 0.00 178.16 176.88 2ddb n ASP 86 N -4.47 0.00 0.14 -2.11 8.00 0.15 -1.42 116.55 116.84 2ddb n ASP 86 Ca 0.09 -0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.60 2ddb n ASP 86 Cb 0.18 -0.19 0.51 0.00 -0.02 0.00 0.00 41.12 41.60 2ddb n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ddb n GLU 87 N -1.19 0.15 0.20 -1.24 1.02 -1.12 -2.18 120.64 116.27 2ddb n GLU 87 Ca 0.08 0.54 0.18 0.00 -0.02 0.00 0.00 57.16 57.95 2ddb n GLU 87 Cb 0.09 -1.89 0.83 0.00 -0.02 0.00 0.00 31.44 30.45 2ddb n GLU 87 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2ddb h ILE 88 N 0.00 0.36 0.00 -3.67 2.10 -1.50 -0.89 117.51 113.91 2ddb h ILE 88 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2ddb h ILE 88 Cb 0.13 0.78 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 2ddb h ILE 88 CO 0.00 0.00 -0.01 0.11 -1.08 0.00 0.00 178.15 177.17 2ddb h LYS 89 N 0.00 0.00 -0.47 2.19 1.57 -1.71 -1.31 116.57 116.84 2ddb h LYS 89 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.63 2ddb h LYS 89 Cb 0.63 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.80 2ddb h LYS 89 CO -0.00 0.01 0.04 0.09 -0.57 0.00 0.00 179.45 179.02 2ddb n ASN 90 N -3.61 2.67 -4.08 0.86 5.03 -0.34 -5.00 115.26 110.79 2ddb n ASN 90 Ca -0.03 -3.77 -0.22 0.00 0.87 0.00 0.00 54.58 51.43 2ddb n ASN 90 Cb 0.09 -0.68 -0.15 0.00 -1.02 0.00 0.00 39.78 38.02 2ddb n ASN 90 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2ddb s PHE 91 N -3.27 1.22 -0.12 3.10 5.36 -0.50 -1.20 117.98 122.58 2ddb s PHE 91 Ca 0.47 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2ddb s PHE 91 Cb 0.42 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 42.31 2ddb s PHE 91 CO 0.01 -0.06 -0.13 0.08 -1.46 0.00 0.00 175.22 173.66 2ddb s VAL 92 N -0.15 1.43 0.23 3.12 1.01 -0.40 -4.92 120.40 120.71 2ddb s VAL 92 Ca 0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.11 2ddb s VAL 92 Cb -0.07 -1.34 -0.13 0.00 0.00 0.00 0.00 36.38 34.84 2ddb s VAL 92 CO 0.00 0.43 1.47 0.00 0.00 0.00 0.00 175.10 177.01 2ddb n TYR 93 N 4.49 2.29 0.00 5.22 4.19 -1.26 -0.44 117.16 131.65 2ddb n TYR 93 Ca -0.17 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.40 2ddb n TYR 93 Cb 0.51 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.84 2ddb n TYR 93 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2ddb n GLY 94 N 2.44 3.06 0.53 2.98 0.00 0.29 -4.76 105.19 109.73 2ddb n GLY 94 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2ddb n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ddb n ILE 95 N -2.00 0.84 0.00 -0.61 2.08 -0.08 -4.93 119.36 114.66 2ddb n ILE 95 Ca 0.00 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.11 2ddb n ILE 95 Cb 0.00 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.18 2ddb n ILE 95 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ddb n GLY 96 N 2.06 0.77 3.73 7.39 0.00 0.42 -4.70 105.19 114.85 2ddb n GLY 96 Ca -0.29 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2ddb n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddb s ALA 97 N -2.00 3.55 -0.20 4.61 0.00 -1.26 -1.28 121.76 125.18 2ddb s ALA 97 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 2ddb s ALA 97 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.69 2ddb s ALA 97 CO 0.00 -0.57 0.14 0.21 0.00 0.00 0.00 175.76 175.54 2ddb s LYS 98 N 0.49 0.12 0.69 0.00 2.20 -0.34 -3.33 119.74 119.58 2ddb s LYS 98 Ca 0.60 -0.07 -0.15 0.00 -0.36 0.00 0.00 55.97 55.99 2ddb s LYS 98 Cb -0.36 -1.54 0.02 0.00 -1.51 0.00 0.00 37.83 34.44 2ddb s LYS 98 CO 0.34 -0.73 1.16 -1.25 -0.36 0.00 0.00 175.35 174.52 2ddb s PRO 99 N 2.19 2.45 0.55 4.03 0.04 -1.26 -4.41 135.00 138.60 2ddb s PRO 99 Ca 0.04 1.61 0.30 0.00 0.04 0.00 0.00 61.00 63.00 2ddb s PRO 99 Cb -0.16 -1.89 1.47 0.00 0.04 0.00 0.00 34.50 33.96 2ddb s PRO 99 CO -0.14 -1.56 1.88 -1.35 0.04 0.00 0.00 177.00 175.87 2ddb h PRO 100 N -0.09 0.00 0.00 0.56 0.11 -1.94 -0.90 132.00 129.73 2ddb h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ddb h PRO 100 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2ddb h PRO 100 CO 0.52 0.00 -0.01 0.41 -0.21 0.00 0.00 178.00 178.70 2ddb n GLY 101 N -1.65 -1.58 3.76 -0.55 0.00 -1.26 -4.82 105.19 99.09 2ddb n GLY 101 Ca 0.15 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2ddb n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddb s SER 102 N -3.66 5.85 -0.22 1.61 0.01 -0.34 -4.98 113.70 111.96 2ddb s SER 102 Ca 0.12 2.88 -0.22 0.00 1.31 0.00 0.00 55.95 60.04 2ddb s SER 102 Cb 0.16 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2ddb s SER 102 CO 0.56 -1.19 0.70 -0.69 0.41 0.00 0.00 173.24 173.03 2ddb s VAL 103 N -1.22 4.95 0.00 3.43 1.01 -1.26 -4.81 120.40 122.50 2ddb s VAL 103 Ca 0.62 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2ddb s VAL 103 Cb -0.43 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2ddb s VAL 103 CO 0.55 0.04 0.47 2.30 0.00 0.00 0.00 175.10 178.46 2ddb n ILE 104 N 4.97 0.06 0.35 2.22 -6.64 -1.26 -4.84 119.36 114.22 2ddb n ILE 104 Ca 0.01 -0.47 0.14 0.00 -1.77 0.00 0.00 62.75 60.66 2ddb n ILE 104 Cb 0.49 1.08 0.56 0.00 -1.44 0.00 0.00 39.64 40.33 2ddb n ILE 104 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2ddb h GLY 105 N 0.00 0.00 0.74 3.28 0.00 -1.96 -1.09 103.07 104.04 2ddb h GLY 105 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2ddb h GLY 105 CO 0.00 0.00 -0.61 0.45 0.00 0.00 0.00 176.54 176.38 2ddb h HIS 106 N 0.00 0.57 0.37 5.60 3.86 -1.88 -2.94 115.15 120.72 2ddb h HIS 106 Ca 0.00 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ddb h HIS 106 Cb 0.48 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2ddb h HIS 106 CO 0.00 1.16 -0.32 -0.92 0.86 0.00 0.00 177.93 178.71 2ddb h TYR 107 N -0.18 -0.85 -0.04 2.45 3.20 -1.24 -2.10 116.97 118.21 2ddb h TYR 107 Ca -0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2ddb h TYR 107 Cb 1.34 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.94 2ddb h TYR 107 CO 0.16 -0.46 -0.00 1.79 -1.64 0.00 0.00 178.16 178.00 2ddb h THR 108 N -0.70 1.03 -0.24 1.81 1.35 -1.33 -1.34 112.91 113.50 2ddb h THR 108 Ca -0.03 -0.12 -0.17 0.00 -0.55 0.00 0.00 66.41 65.54 2ddb h THR 108 Cb 0.62 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2ddb h THR 108 CO -0.03 0.04 -0.55 -0.61 -0.25 0.00 0.00 175.52 174.12 2ddb h GLN 109 N 0.05 0.71 -0.65 4.72 5.75 -1.39 -0.80 115.11 123.51 2ddb h GLN 109 Ca 0.01 -0.45 0.07 0.00 -0.15 0.00 0.00 58.65 58.13 2ddb h GLN 109 Cb 0.05 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 2ddb h GLN 109 CO 0.00 1.07 0.34 0.28 -2.65 0.00 0.00 178.83 177.86 2ddb h VAL 110 N 0.54 0.92 -0.56 2.39 2.07 -0.54 -2.73 116.25 118.34 2ddb h VAL 110 Ca 0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2ddb h VAL 110 Cb 1.12 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2ddb h VAL 110 CO 0.11 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.14 2ddb n VAL 111 N -4.84 2.31 -1.87 2.57 0.24 -0.99 -4.83 118.33 110.92 2ddb n VAL 111 Ca 0.08 -1.38 -0.43 0.00 -2.04 0.00 0.00 64.34 60.58 2ddb n VAL 111 Cb 0.20 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.45 2ddb n VAL 111 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2ddb s TRP 112 N -2.37 1.66 0.32 6.34 -0.11 -0.31 -4.49 118.94 119.98 2ddb s TRP 112 Ca 0.51 0.21 0.08 0.00 1.22 0.00 0.00 56.10 58.12 2ddb s TRP 112 Cb 0.37 -4.04 0.79 0.00 -1.50 0.00 0.00 33.47 29.09 2ddb s TRP 112 CO 0.19 -4.05 1.79 0.10 -4.62 0.00 0.00 176.95 170.36 2ddb h TYR 113 N 11.45 0.99 0.00 5.86 -0.00 -1.60 -2.30 116.97 131.37 2ddb h TYR 113 Ca -0.40 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.36 2ddb h TYR 113 Cb 1.20 -0.30 -0.00 0.00 -0.00 0.00 0.00 36.73 37.63 2ddb h TYR 113 CO 0.93 0.23 -0.57 -0.22 -0.00 0.00 0.00 178.16 178.52 2ddb h LYS 114 N 0.71 0.00 -6.38 0.10 1.63 -1.84 -1.78 116.57 109.01 2ddb h LYS 114 Ca 0.56 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.82 2ddb h LYS 114 Cb 0.94 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.50 2ddb h LYS 114 CO -0.35 0.00 1.09 -1.12 -3.45 0.00 0.00 179.45 175.62 2ddb s SER 115 N -5.73 6.12 0.00 4.20 0.01 -0.87 -4.22 113.70 113.21 2ddb s SER 115 Ca 0.03 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.34 2ddb s SER 115 Cb 0.08 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2ddb s SER 115 CO 0.74 -1.78 0.58 0.00 0.41 0.00 0.00 173.24 173.19 2ddb n HIS 116 N 9.59 0.00 -5.06 2.43 1.44 -1.00 -4.73 115.22 117.89 2ddb n HIS 116 Ca 0.09 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.48 2ddb n HIS 116 Cb 0.49 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.43 2ddb n HIS 116 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2ddb s LEU 117 N -1.18 2.08 0.03 2.39 1.43 -0.40 -1.18 118.68 121.85 2ddb s LEU 117 Ca 0.07 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2ddb s LEU 117 Cb 0.06 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2ddb s LEU 117 CO 0.15 0.14 -0.14 -0.51 0.23 0.00 0.00 176.35 176.22 2ddb s ILE 118 N 0.47 1.10 -0.09 -0.59 2.07 -0.58 -0.08 121.20 123.50 2ddb s ILE 118 Ca -0.16 -0.90 -0.06 0.00 -1.41 0.00 0.00 60.65 58.12 2ddb s ILE 118 Cb -0.17 -0.98 0.04 0.00 0.13 0.00 0.00 42.46 41.48 2ddb s ILE 118 CO 0.06 0.07 0.23 -0.83 -1.91 0.00 0.00 174.94 172.56 2ddb s GLY 119 N -0.95 -0.14 0.12 1.50 0.00 -0.39 -0.50 107.32 106.97 2ddb s GLY 119 Ca 0.02 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.59 2ddb s GLY 119 CO 0.01 0.99 -0.01 0.00 0.00 0.00 0.00 173.10 174.09 2ddb s ALA 121 N -3.77 -1.29 0.11 0.00 0.00 -0.14 -4.73 121.76 111.94 2ddb s ALA 121 Ca 0.18 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2ddb s ALA 121 Cb 0.06 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2ddb s ALA 121 CO -0.01 -0.50 -0.18 -1.54 0.00 0.00 0.00 175.76 173.53 2ddb s SER 122 N -1.97 2.24 -0.03 0.00 1.04 -1.26 -0.89 113.70 112.83 2ddb s SER 122 Ca -0.05 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.69 2ddb s SER 122 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2ddb s SER 122 CO -0.02 -0.03 -0.11 0.00 0.98 0.00 0.00 173.24 174.07 2ddb s ALA 123 N -1.50 1.04 -0.75 5.32 0.00 0.14 -4.91 121.76 121.11 2ddb s ALA 123 Ca 0.06 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2ddb s ALA 123 Cb -0.08 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.73 2ddb s ALA 123 CO 0.04 0.17 1.09 0.21 0.00 0.00 0.00 175.76 177.26 2ddb s LYS 124 N 0.20 3.25 0.07 0.00 2.20 -1.26 -1.47 119.74 122.74 2ddb s LYS 124 Ca -0.04 -0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 54.47 2ddb s LYS 124 Cb -0.10 -4.45 -0.15 0.00 -1.51 0.00 0.00 37.83 31.63 2ddb s LYS 124 CO 0.01 -1.90 1.30 0.00 -0.36 0.00 0.00 175.35 174.41 2ddb s SER 126 N -6.66 0.15 0.16 0.00 1.04 -1.03 -4.97 113.70 102.39 2ddb s SER 126 Ca -0.12 -1.12 0.12 0.00 0.48 0.00 0.00 55.95 55.30 2ddb s SER 126 Cb 0.07 0.77 0.62 0.00 0.10 0.00 0.00 66.02 67.58 2ddb s SER 126 CO 0.83 -1.51 1.36 -1.54 0.98 0.00 0.00 173.24 173.36 2ddb n SER 127 N -1.18 0.29 -0.23 7.02 3.41 -1.26 -2.12 113.62 119.55 2ddb n SER 127 Ca -0.05 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2ddb n SER 127 Cb 0.60 -0.67 0.12 0.00 -0.26 0.00 0.00 64.21 64.00 2ddb n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ddb n SER 128 N -1.89 1.88 -3.26 4.04 3.41 -1.26 -4.76 113.62 111.77 2ddb n SER 128 Ca -0.01 -2.99 -0.04 0.00 -0.26 0.00 0.00 58.87 55.58 2ddb n SER 128 Cb 0.03 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 2ddb n SER 128 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ddb s LYS 129 N -2.40 0.45 -0.11 4.33 2.20 -0.90 -4.34 119.74 118.97 2ddb s LYS 129 Ca 0.28 0.69 0.02 0.00 -0.36 0.00 0.00 55.97 56.60 2ddb s LYS 129 Cb 0.25 -0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2ddb s LYS 129 CO 0.01 -0.67 -0.15 0.71 -0.36 0.00 0.00 175.35 174.89 2ddb s TYR 130 N 2.68 1.95 -0.09 4.03 1.51 0.83 -1.18 117.35 127.08 2ddb s TYR 130 Ca 0.16 -0.93 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 2ddb s TYR 130 Cb -0.15 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 2ddb s TYR 130 CO -0.19 -0.49 -0.22 -1.17 -1.11 0.00 0.00 175.55 172.37 2ddb s LEU 131 N 1.04 2.22 -0.07 -1.29 0.20 -0.54 -1.33 118.68 118.90 2ddb s LEU 131 Ca -0.06 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.31 2ddb s LEU 131 Cb -0.15 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2ddb s LEU 131 CO -0.02 0.21 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.78 2ddb s TYR 132 N 0.08 1.76 -0.09 5.38 1.51 0.51 -0.68 117.35 125.82 2ddb s TYR 132 Ca -0.10 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 2ddb s TYR 132 Cb -0.16 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2ddb s TYR 132 CO 0.06 -0.31 -0.07 0.08 -1.11 0.00 0.00 175.55 174.20 2ddb s VAL 133 N 0.53 0.90 -0.08 0.71 1.01 -0.06 -1.49 120.40 121.92 2ddb s VAL 133 Ca -0.15 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2ddb s VAL 133 Cb -0.16 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2ddb s VAL 133 CO 0.05 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 2ddb s GLN 135 N -0.03 2.06 -0.09 0.00 -0.21 0.62 -0.85 119.66 121.15 2ddb s GLN 135 Ca -0.06 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.34 2ddb s GLN 135 Cb -0.15 -2.16 0.02 0.00 1.00 0.00 0.00 33.01 31.72 2ddb s GLN 135 CO 0.05 0.54 -0.08 0.71 -2.12 0.00 0.00 175.29 174.39 2ddb s TYR 136 N -0.88 1.35 -0.04 0.91 1.51 -0.45 -1.26 117.35 118.48 2ddb s TYR 136 Ca 0.14 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 2ddb s TYR 136 Cb -0.10 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2ddb s TYR 136 CO 0.04 -0.42 -0.13 0.00 -1.11 0.00 0.00 175.55 173.93 2ddb s PRO 138 N 0.28 0.94 0.40 0.00 0.04 -1.26 -1.28 135.00 134.11 2ddb s PRO 138 Ca -0.07 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2ddb s PRO 138 Cb -0.12 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2ddb s PRO 138 CO 0.02 -2.61 1.43 0.00 0.04 0.00 0.00 177.00 175.87 2ddb s ALA 139 N -2.68 3.43 0.30 8.56 0.00 -0.85 -4.08 121.76 126.44 2ddb s ALA 139 Ca 0.66 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2ddb s ALA 139 Cb -0.22 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2ddb s ALA 139 CO 0.59 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2ddb n GLY 140 N 0.56 1.00 2.15 0.00 0.00 -1.26 -4.85 105.19 102.79 2ddb n GLY 140 Ca 0.02 -1.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 2ddb n GLY 140 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ddb n ASN 141 N -2.83 -3.03 -4.76 1.61 3.02 -1.26 -4.94 115.26 103.06 2ddb n ASN 141 Ca 0.00 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 2ddb n ASN 141 Cb 0.00 -1.80 -0.04 0.00 -0.61 0.00 0.00 39.78 37.32 2ddb n ASN 141 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2ddb s ILE 142 N -2.27 3.59 0.26 2.41 -4.36 -1.26 -4.82 121.20 114.75 2ddb s ILE 142 Ca 0.00 1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 61.64 2ddb s ILE 142 Cb 0.00 -3.95 -0.15 0.00 1.25 0.00 0.00 42.46 39.61 2ddb s ILE 142 CO 0.00 0.32 0.99 -1.14 0.24 0.00 0.00 174.94 175.35 2ddb n ARG 143 N 1.03 1.21 -0.40 0.37 0.63 -1.26 -2.33 116.66 115.91 2ddb n ARG 143 Ca -0.00 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 2ddb n ARG 143 Cb 0.46 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2ddb n ARG 143 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ddb n GLY 144 N 1.41 1.47 0.00 5.14 0.00 -1.26 -4.78 105.19 107.17 2ddb n GLY 144 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ddb n GLY 144 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ddb n SER 145 N 0.00 0.30 0.25 1.61 7.64 -0.98 -4.78 113.62 117.65 2ddb n SER 145 Ca 0.00 -0.66 0.11 0.00 1.01 0.00 0.00 58.87 59.32 2ddb n SER 145 Cb 0.00 0.26 0.64 0.00 -1.01 0.00 0.00 64.21 64.10 2ddb n SER 145 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2ddb h ILE 146 N 0.24 0.68 0.00 0.44 2.10 -1.86 0.64 117.51 119.75 2ddb h ILE 146 Ca 0.00 -0.70 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2ddb h ILE 146 Cb 0.12 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 2ddb h ILE 146 CO 0.00 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.23 2ddb h ALA 147 N 1.83 1.00 -2.14 0.18 0.00 -1.86 -3.35 119.26 114.92 2ddb h ALA 147 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2ddb h ALA 147 Cb 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.81 2ddb h ALA 147 CO 0.02 0.00 -0.93 0.25 0.00 0.00 0.00 179.25 178.59 2ddb n THR 148 N -2.91 0.17 0.31 0.00 -2.24 0.20 -0.55 114.28 109.27 2ddb n THR 148 Ca 0.02 -4.31 0.10 0.00 -2.27 0.00 0.00 64.05 57.58 2ddb n THR 148 Cb 0.35 -1.98 0.44 0.00 -2.10 0.00 0.00 70.33 67.05 2ddb n THR 148 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ddb n PRO 149 N 1.43 0.13 -4.08 -0.78 -0.04 -1.13 -4.65 135.00 125.88 2ddb n PRO 149 Ca 0.24 0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 64.06 2ddb n PRO 149 Cb 0.48 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 2ddb n PRO 149 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ddb s TYR 150 N -3.30 0.72 -0.23 0.54 -0.85 -1.26 -1.57 117.35 111.39 2ddb s TYR 150 Ca 0.03 -1.03 -0.23 0.00 -0.52 0.00 0.00 57.07 55.32 2ddb s TYR 150 Cb 0.08 -0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 2ddb s TYR 150 CO 0.29 -0.76 0.74 0.21 -1.52 0.00 0.00 175.55 174.50 2ddb s LYS 151 N -4.07 4.18 0.45 -3.49 2.20 -1.26 -5.01 119.74 112.74 2ddb s LYS 151 Ca 0.28 0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 56.45 2ddb s LYS 151 Cb 0.04 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 2ddb s LYS 151 CO 0.08 -0.42 1.13 -1.54 -0.36 0.00 0.00 175.35 174.23 2ddb s SER 152 N 1.34 6.29 0.00 1.43 1.04 -1.26 -0.72 113.70 121.82 2ddb s SER 152 Ca 0.32 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.97 2ddb s SER 152 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2ddb s SER 152 CO 0.09 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2ddb n GLY 153 N 0.37 -1.16 3.74 7.32 0.00 -0.65 -4.65 105.19 110.17 2ddb n GLY 153 Ca 0.07 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2ddb n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ddb n PRO 154 N -1.39 2.62 -1.61 1.61 -0.02 -1.26 -3.51 135.00 131.45 2ddb n PRO 154 Ca 0.00 0.93 -0.50 0.00 -2.02 0.00 0.00 63.50 61.91 2ddb n PRO 154 Cb 0.00 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 30.73 2ddb n PRO 154 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ddb n PRO 155 N 2.12 1.37 -1.79 0.52 -0.04 -1.24 -1.54 135.00 134.40 2ddb n PRO 155 Ca 0.09 0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 63.83 2ddb n PRO 155 Cb 0.36 -2.13 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 2ddb n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddb h ALA 157 N 0.24 1.43 -0.07 0.00 0.00 -1.08 -0.76 119.26 119.02 2ddb h ALA 157 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ddb h ALA 157 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ddb h ALA 157 CO 0.62 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 2ddb n ASP 158 N -3.72 1.98 -2.97 0.00 8.00 -0.41 -4.39 116.55 115.04 2ddb n ASP 158 Ca -0.03 -1.68 -0.14 0.00 0.71 0.00 0.00 54.79 53.66 2ddb n ASP 158 Cb 0.09 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 2ddb n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ddb h PRO 160 N 2.95 0.00 -0.22 0.00 0.13 -1.71 -1.79 132.00 131.35 2ddb h PRO 160 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ddb h PRO 160 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ddb h PRO 160 CO 0.35 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.56 2ddb n SER 161 N -3.12 3.01 -2.84 1.44 7.64 -1.26 -4.56 113.62 113.93 2ddb n SER 161 Ca -0.00 -1.89 -0.12 0.00 1.01 0.00 0.00 58.87 57.87 2ddb n SER 161 Cb 0.25 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 2ddb n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ddb n ALA 162 N 1.21 2.36 -3.43 -0.43 0.00 -0.68 -5.08 120.51 114.45 2ddb n ALA 162 Ca 0.15 -2.84 -0.32 0.00 0.00 0.00 0.00 53.44 50.43 2ddb n ALA 162 Cb 0.53 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.85 2ddb n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddb s VAL 164 N 0.58 1.93 -1.12 0.00 1.01 0.29 -4.86 120.40 118.22 2ddb s VAL 164 Ca -0.13 -1.00 -0.32 0.00 0.00 0.00 0.00 61.98 60.53 2ddb s VAL 164 Cb -0.17 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.43 2ddb s VAL 164 CO 0.04 0.39 0.63 -3.20 0.00 0.00 0.00 175.10 172.96 2ddb n ASN 165 N 4.63 -3.83 0.00 3.32 5.15 -1.26 -1.05 115.26 122.22 2ddb n ASN 165 Ca -0.18 -1.22 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 2ddb n ASN 165 Cb 0.48 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2ddb n ASN 165 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2ddb n ARG 166 N -4.75 -0.58 -5.25 1.20 1.74 -1.26 -4.88 116.66 102.88 2ddb n ARG 166 Ca -0.11 0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2ddb n ARG 166 Cb 0.53 -3.62 -0.17 0.00 -1.02 0.00 0.00 32.46 28.18 2ddb n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ddb s LEU 167 N 0.00 2.07 0.39 0.55 1.43 -0.21 -4.50 118.68 118.40 2ddb s LEU 167 Ca 0.00 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.34 2ddb s LEU 167 Cb 0.00 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 2ddb s LEU 167 CO 0.00 0.23 1.06 0.00 0.23 0.00 0.00 176.35 177.87 2ddb n THR 169 N 0.04 1.88 -3.06 0.00 -2.24 0.53 -0.31 114.28 111.12 2ddb n THR 169 Ca 0.04 -2.27 -0.27 0.00 -2.27 0.00 0.00 64.05 59.29 2ddb n THR 169 Cb 0.49 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 2ddb n THR 169 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ddb n ASN 170 N -1.42 4.10 -4.77 3.42 6.94 -1.26 -5.05 115.26 117.23 2ddb n ASN 170 Ca 0.16 -3.59 -0.40 0.00 -0.02 0.00 0.00 54.58 50.73 2ddb n ASN 170 Cb 0.64 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 2ddb n ASN 170 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2ddb s PRO 171 N -3.17 4.30 -0.10 -0.53 0.04 -1.26 -0.64 135.00 133.63 2ddb s PRO 171 Ca 0.46 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2ddb s PRO 171 Cb 0.25 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 2ddb s PRO 171 CO -0.11 -0.15 1.37 0.00 0.04 0.00 0.00 177.00 178.16 2ddb n ASN 173 N 6.36 1.71 -4.88 0.00 3.02 -1.26 -4.82 115.26 115.40 2ddb n ASN 173 Ca 0.14 -1.52 -0.30 0.00 -0.03 0.00 0.00 54.58 52.87 2ddb n ASN 173 Cb 0.44 0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 2ddb n ASN 173 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ddb s TYR 174 N -2.06 3.61 -0.07 3.10 2.02 -1.26 -5.09 117.35 117.59 2ddb s TYR 174 Ca 0.34 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 2ddb s TYR 174 Cb 0.21 -2.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 2ddb s TYR 174 CO 0.35 -0.57 -0.05 -0.80 -1.57 0.00 0.00 175.55 172.91 2ddb s ASN 175 N -4.14 1.47 0.28 2.29 0.01 -1.26 -4.64 114.94 108.95 2ddb s ASN 175 Ca 0.53 -0.18 -0.29 0.00 -0.71 0.00 0.00 52.86 52.21 2ddb s ASN 175 Cb -0.11 -0.59 -0.10 0.00 0.41 0.00 0.00 41.25 40.87 2ddb s ASN 175 CO 0.51 -0.08 1.19 0.20 -1.51 0.00 0.00 177.10 177.41 2ddb s ASN 176 N 1.26 7.06 0.26 -1.22 0.01 -1.26 -4.47 114.94 116.58 2ddb s ASN 176 Ca -0.05 2.42 0.16 0.00 -0.71 0.00 0.00 52.86 54.68 2ddb s ASN 176 Cb -0.14 -2.63 0.06 0.00 0.41 0.00 0.00 41.25 38.95 2ddb s ASN 176 CO -0.02 -0.32 1.35 0.44 -1.51 0.00 0.00 177.10 177.04 2ddb h ASP 177 N 3.89 0.00 -3.98 -1.22 5.19 -0.59 -3.48 116.42 116.23 2ddb h ASP 177 Ca -0.47 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.52 2ddb h ASP 177 Cb 1.22 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.55 2ddb h ASP 177 CO 0.68 0.44 -0.76 -0.36 -3.12 0.00 0.00 179.24 176.12 2ddb s PHE 178 N -3.00 1.43 0.01 4.55 0.08 -1.26 -5.06 117.98 114.74 2ddb s PHE 178 Ca 0.03 -0.56 0.30 0.00 0.12 0.00 0.00 56.93 56.82 2ddb s PHE 178 Cb 0.08 -0.74 1.11 0.00 -0.57 0.00 0.00 43.02 42.89 2ddb s PHE 178 CO 0.75 0.16 1.89 0.77 -0.10 0.00 0.00 175.22 178.69 2ddb h SER 179 N 3.43 0.00 -0.59 1.36 0.02 -2.00 -3.09 113.55 112.68 2ddb h SER 179 Ca -0.40 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 2ddb h SER 179 Cb 1.20 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 2ddb h SER 179 CO 0.52 0.04 0.18 -0.46 -1.14 0.00 0.00 176.83 175.96 2ddb n ASN 180 N -3.13 4.20 0.11 3.07 6.94 -1.26 -4.62 115.26 120.56 2ddb n ASN 180 Ca 0.01 -3.30 0.04 0.00 -0.02 0.00 0.00 54.58 51.31 2ddb n ASN 180 Cb 0.37 -0.69 0.46 0.00 -2.36 0.00 0.00 39.78 37.56 2ddb n ASN 180 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ddb h LYS 182 N 0.30 0.17 -0.21 0.00 3.64 -1.87 0.09 116.57 118.68 2ddb h LYS 182 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2ddb h LYS 182 Cb 0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2ddb h LYS 182 CO -0.00 0.11 0.11 1.03 -2.27 0.00 0.00 179.45 178.43 2ddb h SER 183 N 0.17 0.27 -0.63 4.20 0.87 -1.75 -1.95 113.55 114.73 2ddb h SER 183 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ddb h SER 183 Cb -0.01 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2ddb h SER 183 CO -0.03 0.29 0.40 -0.07 -0.53 0.00 0.00 176.83 176.89 2ddb h LEU 184 N 0.23 0.74 -0.72 2.23 3.38 -1.05 -1.50 115.31 118.62 2ddb h LEU 184 Ca 0.07 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2ddb h LEU 184 Cb 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2ddb h LEU 184 CO -0.01 0.56 0.28 0.00 0.09 0.00 0.00 178.44 179.36 2ddb h ALA 185 N 1.21 0.94 0.29 1.53 0.00 -0.94 -2.08 119.26 120.21 2ddb h ALA 185 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ddb h ALA 185 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2ddb h ALA 185 CO -0.05 0.57 -0.14 -0.22 0.00 0.00 0.00 179.25 179.41 2ddb h LYS 186 N 1.04 -0.38 0.00 0.00 3.64 -0.97 -1.21 116.57 118.68 2ddb h LYS 186 Ca 0.24 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 2ddb h LYS 186 Cb 0.22 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2ddb h LYS 186 CO -0.02 -0.11 -0.36 1.57 -2.27 0.00 0.00 179.45 178.26 2ddb h LYS 187 N -0.63 0.00 0.00 1.90 2.10 -1.29 -3.15 116.57 115.51 2ddb h LYS 187 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2ddb h LYS 187 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2ddb h LYS 187 CO 0.07 0.36 -1.04 -1.13 -2.00 0.00 0.00 179.45 175.71 2ddb n SER 188 N -3.59 0.64 -2.37 7.07 3.41 -0.78 -4.94 113.62 113.06 2ddb n SER 188 Ca -0.00 -0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 2ddb n SER 188 Cb 0.49 0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 65.31 2ddb n SER 188 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ddb n LYS 189 N -1.82 -2.15 -4.02 4.33 5.02 -0.47 -1.87 118.16 117.19 2ddb n LYS 189 Ca 0.02 0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 56.61 2ddb n LYS 189 Cb 0.41 -5.19 0.01 0.00 -0.02 0.00 0.00 35.03 30.23 2ddb n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddb n GLN 191 N -4.57 0.33 -3.10 0.00 6.02 -0.78 -4.75 117.38 110.53 2ddb n GLN 191 Ca 0.06 0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.69 2ddb n GLN 191 Cb 0.51 -1.65 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2ddb n GLN 191 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2ddb s THR 192 N -3.21 5.04 0.16 5.09 2.01 -1.26 -4.99 115.64 118.48 2ddb s THR 192 Ca 0.04 1.36 -0.15 0.00 0.31 0.00 0.00 61.69 63.24 2ddb s THR 192 Cb 0.13 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.68 2ddb s THR 192 CO 0.77 0.29 1.80 -0.08 -0.69 0.00 0.00 174.62 176.71 2ddb h GLU 193 N 6.58 0.63 -0.05 4.92 4.57 -2.00 -2.38 114.58 126.83 2ddb h GLU 193 Ca -0.42 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.66 2ddb h GLU 193 Cb 1.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2ddb h GLU 193 CO 0.75 0.45 -0.23 0.11 -1.18 0.00 0.00 179.01 178.90 2ddb h TRP 194 N 0.62 0.09 -0.32 0.92 5.08 -1.99 -1.78 115.95 118.57 2ddb h TRP 194 Ca 0.17 -0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.01 2ddb h TRP 194 Cb -0.02 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.11 2ddb h TRP 194 CO -0.03 0.31 -0.25 0.82 -1.28 0.00 0.00 178.44 178.00 2ddb h ILE 195 N 0.08 1.29 -0.98 0.12 2.04 -1.88 0.71 117.51 118.89 2ddb h ILE 195 Ca 0.01 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.49 2ddb h ILE 195 Cb 0.45 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2ddb h ILE 195 CO 0.03 0.46 0.65 0.11 0.00 0.00 0.00 178.15 179.40 2ddb h LYS 196 N 0.51 1.24 -0.07 2.37 1.57 -1.12 0.42 116.57 121.48 2ddb h LYS 196 Ca 0.06 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 2ddb h LYS 196 Cb 0.82 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2ddb h LYS 196 CO 0.07 0.82 -0.82 0.87 -0.57 0.00 0.00 179.45 179.82 2ddb h LYS 197 N 1.28 0.54 0.00 3.15 1.57 -1.08 -3.28 116.57 118.75 2ddb h LYS 197 Ca 0.38 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2ddb h LYS 197 Cb -0.06 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2ddb h LYS 197 CO -0.10 1.11 -1.46 1.63 -0.57 0.00 0.00 179.45 180.06 2ddb n LYS 198 N -3.84 0.86 -2.41 3.15 5.02 0.22 -4.54 118.16 116.61 2ddb n LYS 198 Ca -0.06 -0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 55.85 2ddb n LYS 198 Cb 0.76 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 2ddb n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddb h PRO 200 N 2.52 0.09 0.14 0.00 0.13 -1.73 0.78 132.00 133.94 2ddb h PRO 200 Ca 0.31 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.41 2ddb h PRO 200 Cb 1.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ddb h PRO 200 CO 0.84 0.36 -0.07 0.00 -0.23 0.00 0.00 178.00 178.90 2ddb h ALA 201 N 1.64 -0.19 -0.40 -0.56 0.00 -1.82 -0.73 119.26 117.20 2ddb h ALA 201 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2ddb h ALA 201 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ddb h ALA 201 CO 0.04 -0.51 0.03 0.77 0.00 0.00 0.00 179.25 179.58 2ddb h SER 202 N -0.38 0.58 0.77 0.00 0.02 -1.80 -0.46 113.55 112.28 2ddb h SER 202 Ca -0.02 -0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.65 2ddb h SER 202 Cb 0.31 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2ddb h SER 202 CO 0.03 0.63 -0.79 0.00 -1.14 0.00 0.00 176.83 175.56 2ddb n PHE 204 N -3.61 0.00 -1.41 0.00 3.72 -0.29 -4.88 117.46 110.99 2ddb n PHE 204 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 2ddb n PHE 204 Cb 0.76 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.24 2ddb n PHE 204 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ddb h HIS 206 N 4.08 0.00 -0.07 0.00 3.86 -1.88 -2.93 115.15 118.20 2ddb h HIS 206 Ca 0.59 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 2ddb h HIS 206 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2ddb h HIS 206 CO 1.73 0.17 -0.10 0.09 0.86 0.00 0.00 177.93 180.68 2ddb n ASN 207 N -3.45 2.49 -4.43 2.45 3.02 -1.26 -5.01 115.26 109.07 2ddb n ASN 207 Ca -0.01 -3.28 -0.21 0.00 -0.03 0.00 0.00 54.58 51.04 2ddb n ASN 207 Cb 0.34 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 2ddb n ASN 207 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ddb s LYS 208 N -2.97 1.55 -0.29 3.52 1.02 -1.11 -4.99 119.74 116.48 2ddb s LYS 208 Ca 0.36 -1.77 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 2ddb s LYS 208 Cb 0.32 -1.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.40 2ddb s LYS 208 CO 0.02 0.08 0.81 0.42 -0.92 0.00 0.00 175.35 175.76 2ddb s ILE 209 N -2.95 4.79 -1.67 2.17 -1.09 0.18 -4.75 121.20 117.89 2ddb s ILE 209 Ca 0.29 1.32 0.13 0.00 -2.23 0.00 0.00 60.65 60.16 2ddb s ILE 209 Cb 0.03 -4.15 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2ddb s ILE 209 CO 0.12 -0.21 0.92 -0.38 -1.23 0.00 0.00 174.94 174.16