#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 -2.41 -0.85 3.17 8.00 -1.26 -5.17 116.55 118.03 1ddb n ASP 2 Ca 0.00 0.69 0.11 0.00 0.71 0.00 0.00 54.79 56.30 1ddb n ASP 2 Cb 0.00 2.35 -0.04 0.00 -0.02 0.00 0.00 41.12 43.41 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ddb n SER 3 N -3.40 -5.09 -3.00 -2.24 7.64 -1.26 -4.95 113.62 101.32 1ddb n SER 3 Ca 0.00 0.56 -0.00 0.00 1.01 0.00 0.00 58.87 60.44 1ddb n SER 3 Cb 0.00 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 1ddb n SER 3 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ddb s GLU 4 N -2.56 0.72 -0.33 1.43 2.56 -1.26 -5.01 118.70 114.24 1ddb s GLU 4 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.97 54.62 1ddb s GLU 4 Cb 0.00 0.05 0.18 0.00 2.00 0.00 0.00 34.13 36.36 1ddb s GLU 4 CO 0.00 -0.99 1.15 1.55 -0.56 0.00 0.00 175.26 176.41 1ddb n VAL 5 N 3.85 0.00 -3.58 3.70 3.14 -1.26 -5.12 118.33 119.06 1ddb n VAL 5 Ca 0.12 -0.93 -0.02 0.00 -2.96 0.00 0.00 64.34 60.55 1ddb n VAL 5 Cb 0.58 0.73 -0.05 0.00 -1.06 0.00 0.00 33.84 34.04 1ddb n VAL 5 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ddb s SER 6 N -0.55 -0.82 -0.26 6.55 1.04 -1.26 -5.02 113.70 113.39 1ddb s SER 6 Ca 0.10 1.19 -0.01 0.00 0.48 0.00 0.00 55.95 57.70 1ddb s SER 6 Cb 0.19 1.72 0.14 0.00 0.10 0.00 0.00 66.02 68.16 1ddb s SER 6 CO -0.04 -0.17 0.35 0.20 0.98 0.00 0.00 173.24 174.56 1ddb s ASN 7 N 2.21 0.68 -0.47 7.02 0.01 -1.26 -5.10 114.94 118.04 1ddb s ASN 7 Ca -0.06 -0.17 -0.41 0.00 -0.71 0.00 0.00 52.86 51.51 1ddb s ASN 7 Cb -0.07 0.91 -0.18 0.00 0.41 0.00 0.00 41.25 42.32 1ddb s ASN 7 CO -0.18 -0.33 1.99 0.61 -1.51 0.00 0.00 177.10 177.67 1ddb n GLY 8 N 5.35 -0.13 2.76 0.66 0.00 -1.26 -4.89 105.19 107.68 1ddb n GLY 8 Ca -0.02 1.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.88 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddb s SER 9 N 5.53 0.35 -0.16 1.61 0.01 -1.26 -5.00 113.70 114.78 1ddb s SER 9 Ca 1.12 0.03 0.06 0.00 1.31 0.00 0.00 55.95 58.47 1ddb s SER 9 Cb -1.40 -0.12 0.19 0.00 0.21 0.00 0.00 66.02 64.90 1ddb s SER 9 CO 0.62 -0.14 1.19 0.61 0.41 0.00 0.00 173.24 175.92 1ddb n GLY 10 N 4.38 1.11 2.46 3.44 0.00 -1.26 -4.91 105.19 110.42 1ddb n GLY 10 Ca -0.23 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1ddb n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddb n LEU 11 N -0.74 0.00 0.00 0.99 4.77 -1.26 -4.91 117.00 115.86 1ddb n LEU 11 Ca -0.20 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1ddb n LEU 11 Cb 0.75 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1ddb n LEU 11 CO -0.14 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 1ddb n GLY 12 N 0.80 0.38 0.00 -0.72 0.00 -1.26 -4.17 105.19 100.22 1ddb n GLY 12 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N 5.89 0.00 -1.90 4.61 0.00 -1.26 -4.97 120.51 122.88 1ddb n ALA 13 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ddb n ALA 13 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ddb n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ddb n LYS 14 N 0.00 2.74 0.02 0.00 4.01 -1.26 -4.67 118.16 119.01 1ddb n LYS 14 Ca 0.00 -3.47 -0.12 0.00 -0.51 0.00 0.00 58.31 54.21 1ddb n LYS 14 Cb 0.00 -2.26 -0.07 0.00 -0.51 0.00 0.00 35.03 32.18 1ddb n LYS 14 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1ddb h HIS 15 N 3.00 0.01 -0.80 2.13 2.76 -1.94 -2.07 115.15 118.25 1ddb h HIS 15 Ca 0.56 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.87 1ddb h HIS 15 Cb 0.06 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 1ddb h HIS 15 CO 1.19 0.12 0.52 0.82 -1.30 0.00 0.00 177.93 179.29 1ddb h ILE 16 N -0.10 0.84 0.42 6.26 1.08 -1.91 -2.22 117.51 121.88 1ddb h ILE 16 Ca 0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1ddb h ILE 16 Cb 0.11 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1ddb h ILE 16 CO -0.00 0.10 -0.37 0.74 -0.69 0.00 0.00 178.15 177.93 1ddb h THR 17 N 0.56 0.00 -1.18 -0.27 2.02 -1.57 -1.23 112.91 111.25 1ddb h THR 17 Ca 0.39 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.92 1ddb h THR 17 Cb 0.72 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1ddb h THR 17 CO -0.15 0.00 0.77 -0.78 0.37 0.00 0.00 175.52 175.73 1ddb h ASP 18 N -0.77 0.32 -0.07 4.18 3.58 -1.11 2.61 116.42 125.16 1ddb h ASP 18 Ca -0.05 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 1ddb h ASP 18 Cb 0.66 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1ddb h ASP 18 CO -0.02 -0.03 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.20 1ddb h LEU 19 N 0.23 0.26 0.63 2.28 3.38 -0.84 0.31 115.31 121.57 1ddb h LEU 19 Ca 0.69 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 1ddb h LEU 19 Cb 2.03 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.72 1ddb h LEU 19 CO -0.32 0.35 -0.30 0.25 0.09 0.00 0.00 178.44 178.51 1ddb h LEU 20 N 0.28 -0.72 0.43 1.67 7.12 0.55 1.86 115.31 126.50 1ddb h LEU 20 Ca 0.06 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1ddb h LEU 20 Cb 0.26 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1ddb h LEU 20 CO 0.01 -0.45 -0.35 1.62 -0.13 0.00 0.00 178.44 179.13 1ddb h VAL 21 N -0.97 0.27 -0.94 1.05 3.04 -1.34 2.95 116.25 120.31 1ddb h VAL 21 Ca -0.09 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.67 1ddb h VAL 21 Cb 0.65 0.27 -0.07 0.00 -2.01 0.00 0.00 31.29 30.14 1ddb h VAL 21 CO 0.14 0.00 0.60 0.15 -1.01 0.00 0.00 177.57 177.45 1ddb h PHE 22 N -0.78 1.10 -0.02 3.17 3.04 -0.44 -1.30 116.94 121.71 1ddb h PHE 22 Ca -0.04 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.76 1ddb h PHE 22 Cb 0.68 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1ddb h PHE 22 CO -0.17 0.55 -0.80 0.78 -2.02 0.00 0.00 178.31 176.65 1ddb h GLY 23 N 1.07 0.24 0.70 2.40 0.00 0.35 -3.09 103.07 104.72 1ddb h GLY 23 Ca 0.42 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1ddb h GLY 23 CO -0.18 0.33 -0.24 -2.75 0.00 0.00 0.00 176.54 173.70 1ddb h PHE 24 N 0.13 -0.63 -0.69 5.60 3.04 0.64 0.21 116.94 125.24 1ddb h PHE 24 Ca -0.03 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.00 1ddb h PHE 24 Cb 1.39 0.25 -0.06 0.00 2.56 0.00 0.00 35.95 40.09 1ddb h PHE 24 CO 0.03 -0.35 0.37 -0.07 -2.02 0.00 0.00 178.31 176.26 1ddb h LEU 25 N -0.50 0.52 -1.62 0.59 4.07 -1.46 0.87 115.31 117.78 1ddb h LEU 25 Ca 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1ddb h LEU 25 Cb 0.47 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ddb h LEU 25 CO -0.07 0.32 0.10 -0.61 -1.08 0.00 0.00 178.44 177.10 1ddb h GLN 26 N 0.65 0.34 0.00 1.13 -0.00 -1.33 -2.85 115.11 113.05 1ddb h GLN 26 Ca 0.32 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 1ddb h GLN 26 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.67 1ddb h GLN 26 CO -0.22 0.29 0.00 0.45 0.00 0.00 0.00 178.83 179.35 1ddb n SER 27 N -4.43 0.00 -1.36 -0.69 2.88 0.67 -4.80 113.62 105.89 1ddb n SER 27 Ca 0.01 0.04 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1ddb n SER 27 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N -0.05 0.60 0.00 -3.46 2.88 -1.02 -4.95 113.62 107.62 1ddb n SER 28 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1ddb n SER 28 Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N 0.39 0.59 0.00 0.46 0.00 -1.04 -4.66 105.19 100.92 1ddb n GLY 29 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N 0.00 0.12 0.16 0.00 2.01 -1.26 -4.83 115.64 111.84 1ddb s THR 31 Ca 0.00 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 1ddb s THR 31 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1ddb s THR 31 CO 0.00 -0.56 1.55 -0.09 -0.69 0.00 0.00 174.62 174.83 1ddb h ARG 32 N 4.05 -0.13 -0.42 4.92 1.12 -1.90 1.86 114.38 123.87 1ddb h ARG 32 Ca -0.32 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 58.68 1ddb h ARG 32 Cb 1.19 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.16 1ddb h ARG 32 CO 0.47 -0.09 0.43 0.37 -3.11 0.00 0.00 179.97 178.04 1ddb h GLN 33 N -0.14 0.00 0.17 0.20 4.15 -1.97 -0.42 115.11 117.11 1ddb h GLN 33 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1ddb h GLN 33 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ddb h GLN 33 CO -0.82 0.00 -0.08 1.49 -1.93 0.00 0.00 178.83 177.49 1ddb h GLU 34 N 0.00 -0.22 -0.92 1.69 4.57 0.25 0.41 114.58 120.36 1ddb h GLU 34 Ca 0.20 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.66 1ddb h GLU 34 Cb 1.05 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.55 1ddb h GLU 34 CO -0.00 0.13 0.30 1.37 -1.18 0.00 0.00 179.01 179.63 1ddb h LEU 35 N -0.61 0.08 -0.06 1.64 8.10 0.14 1.14 115.31 125.74 1ddb h LEU 35 Ca -0.02 0.21 -0.22 0.00 0.11 0.00 0.00 57.88 57.95 1ddb h LEU 35 Cb 0.46 0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.92 1ddb h LEU 35 CO 0.04 -0.18 -1.02 -0.08 -4.11 0.00 0.00 178.44 173.09 1ddb h GLU 36 N 0.21 0.10 0.89 0.17 4.22 -1.41 1.25 114.58 120.01 1ddb h GLU 36 Ca 0.60 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.85 1ddb h GLU 36 Cb 1.28 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1ddb h GLU 36 CO -0.67 1.03 -0.43 -0.24 -2.18 0.00 0.00 179.01 176.51 1ddb h VAL 37 N 0.04 0.06 0.22 0.32 3.04 0.56 -0.64 116.25 119.84 1ddb h VAL 37 Ca -0.05 -0.08 -0.34 0.00 -1.01 0.00 0.00 66.70 65.23 1ddb h VAL 37 Cb 1.74 0.06 0.03 0.00 -2.01 0.00 0.00 31.29 31.11 1ddb h VAL 37 CO 0.15 0.00 -1.56 -0.07 -1.01 0.00 0.00 177.57 175.08 1ddb h LEU 38 N -1.27 0.73 -0.42 3.16 -0.00 -0.01 -3.34 115.31 114.16 1ddb h LEU 38 Ca -0.12 -0.87 0.09 0.00 -0.00 0.00 0.00 57.88 56.98 1ddb h LEU 38 Cb 0.92 -0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.26 1ddb h LEU 38 CO 0.20 1.70 -0.24 1.23 -0.00 0.00 0.00 178.44 181.33 1ddb h GLY 39 N 0.51 0.01 -7.31 0.83 0.00 0.15 -3.36 103.07 93.90 1ddb h GLY 39 Ca -0.28 0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 1ddb h GLY 39 CO 0.24 -0.21 0.85 -0.96 0.00 0.00 0.00 176.54 176.46 1ddb n ARG 40 N -5.40 0.52 -3.86 4.80 1.85 -0.25 -4.85 116.66 109.47 1ddb n ARG 40 Ca 0.02 -0.46 -0.12 0.00 -1.00 0.00 0.00 57.85 56.30 1ddb n ARG 40 Cb 0.31 -3.00 -0.13 0.00 -1.05 0.00 0.00 32.46 28.59 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1ddb s GLU 41 N 8.45 0.10 -0.17 2.89 -1.05 -1.26 -4.97 118.70 122.70 1ddb s GLU 41 Ca 1.04 -0.01 -0.09 0.00 -0.15 0.00 0.00 54.97 55.76 1ddb s GLU 41 Cb -0.35 0.04 -0.05 0.00 -0.44 0.00 0.00 34.13 33.34 1ddb s GLU 41 CO 0.24 -0.02 0.14 -0.51 0.95 0.00 0.00 175.26 176.07 1ddb s LEU 42 N -0.16 4.27 -1.10 1.83 2.01 -1.26 -5.01 118.68 119.25 1ddb s LEU 42 Ca -0.02 0.33 -0.22 0.00 0.01 0.00 0.00 54.13 54.23 1ddb s LEU 42 Cb -0.02 -2.10 -0.00 0.00 0.01 0.00 0.00 46.19 44.08 1ddb s LEU 42 CO 0.00 0.25 1.76 -2.16 1.01 0.00 0.00 176.35 177.22 1ddb s PRO 43 N -0.11 3.17 0.31 1.29 0.04 -1.26 -4.81 135.00 133.64 1ddb s PRO 43 Ca 0.11 -1.16 0.03 0.00 0.04 0.00 0.00 61.00 60.02 1ddb s PRO 43 Cb -0.11 -5.30 0.79 0.00 0.04 0.00 0.00 34.50 29.91 1ddb s PRO 43 CO 0.00 -2.95 1.56 0.28 0.04 0.00 0.00 177.00 175.93 1ddb n VAL 44 N 7.23 -0.42 -3.27 -0.36 0.31 -1.26 -4.87 118.33 115.69 1ddb n VAL 44 Ca 0.42 2.18 0.03 0.00 -0.01 0.00 0.00 64.34 66.96 1ddb n VAL 44 Cb 0.48 -3.20 -0.01 0.00 -0.91 0.00 0.00 33.84 30.19 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n GLN 45 N -5.48 -0.50 -3.35 5.55 1.13 -1.26 -4.97 117.38 108.50 1ddb n GLN 45 Ca 0.24 0.33 -0.14 0.00 -1.94 0.00 0.00 57.00 55.49 1ddb n GLN 45 Cb 0.79 -0.61 0.03 0.00 0.11 0.00 0.00 30.24 30.55 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 46 N -0.55 -2.56 -0.91 -1.58 0.00 -1.26 -4.76 120.51 108.89 1ddb n ALA 46 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1ddb n ALA 46 Cb 0.11 -2.93 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N -2.75 -0.14 -1.01 0.00 9.36 -1.26 -4.62 117.16 116.74 1ddb n TYR 47 Ca -0.08 0.64 -0.34 0.00 3.32 0.00 0.00 57.90 61.44 1ddb n TYR 47 Cb 0.57 -1.28 -0.01 0.00 -0.63 0.00 0.00 39.34 38.00 1ddb n TYR 47 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1ddb n TRP 48 N 0.23 -0.98 -3.66 2.98 -0.00 -1.26 -4.87 117.44 109.88 1ddb n TRP 48 Ca 0.12 0.59 -0.39 0.00 -0.00 0.00 0.00 57.50 57.82 1ddb n TRP 48 Cb 0.13 -1.40 -0.12 0.00 -0.00 0.00 0.00 31.31 29.93 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 1ddb s GLU 49 N -0.75 2.73 0.56 5.87 -1.05 -1.26 -5.06 118.70 119.74 1ddb s GLU 49 Ca 0.46 -1.13 -0.15 0.00 -0.15 0.00 0.00 54.97 54.00 1ddb s GLU 49 Cb -0.59 -3.62 -0.13 0.00 -0.44 0.00 0.00 34.13 29.36 1ddb s GLU 49 CO 0.44 -0.69 -0.30 0.00 0.95 0.00 0.00 175.26 175.67 1ddb n ALA 50 N 4.92 -3.57 0.01 -0.84 0.00 -1.26 -4.89 120.51 114.88 1ddb n ALA 50 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ddb n ALA 50 Cb 0.45 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ddb n ASP 51 N 2.40 -0.10 -3.25 0.00 5.75 -1.26 -5.12 116.55 114.97 1ddb n ASP 51 Ca 0.04 0.03 -0.35 0.00 -0.01 0.00 0.00 54.79 54.50 1ddb n ASP 51 Cb 0.42 0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.88 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ddb n LEU 52 N -2.54 -1.09 -3.65 -2.12 -0.00 -1.26 -4.95 117.00 101.40 1ddb n LEU 52 Ca 0.00 0.80 -0.04 0.00 -0.00 0.00 0.00 56.01 56.78 1ddb n LEU 52 Cb 0.00 -0.70 -0.07 0.00 -0.00 0.00 0.00 43.42 42.66 1ddb n LEU 52 CO 0.00 -2.33 0.98 -0.70 -0.00 0.00 0.00 177.39 175.33 1ddb s GLU 53 N -0.74 0.21 -0.04 1.96 2.12 -1.26 -5.18 118.70 115.78 1ddb s GLU 53 Ca 0.47 0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.89 1ddb s GLU 53 Cb -0.66 0.09 0.03 0.00 0.26 0.00 0.00 34.13 33.86 1ddb s GLU 53 CO 0.42 -0.03 0.40 0.16 -0.54 0.00 0.00 175.26 175.67 1ddb s ASP 54 N 0.36 -0.32 -0.32 -1.70 1.47 -1.26 -5.13 116.67 109.76 1ddb s ASP 54 Ca 0.02 0.30 0.01 0.00 1.18 0.00 0.00 52.55 54.07 1ddb s ASP 54 Cb -0.04 0.42 0.19 0.00 -0.34 0.00 0.00 42.92 43.15 1ddb s ASP 54 CO -0.12 -0.45 0.75 -0.70 0.68 0.00 0.00 175.17 175.33 1ddb s GLU 55 N -1.14 0.49 0.05 2.11 2.12 -1.26 -5.16 118.70 115.91 1ddb s GLU 55 Ca -0.12 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.45 1ddb s GLU 55 Cb -0.04 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 1ddb s GLU 55 CO 0.05 -0.82 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.33 1ddb s LEU 56 N 2.53 2.25 -0.57 2.70 1.43 -1.26 -5.08 118.68 120.68 1ddb s LEU 56 Ca 0.16 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1ddb s LEU 56 Cb -0.05 -0.34 0.27 0.00 0.03 0.00 0.00 46.19 46.10 1ddb s LEU 56 CO -0.20 -0.13 0.75 1.67 0.23 0.00 0.00 176.35 178.67 1ddb n GLN 57 N 1.46 2.28 -3.70 1.70 7.27 -1.26 -4.96 117.38 120.17 1ddb n GLN 57 Ca -0.22 -4.40 -0.14 0.00 0.07 0.00 0.00 57.00 52.31 1ddb n GLN 57 Cb 0.55 -2.05 -0.09 0.00 2.41 0.00 0.00 30.24 31.06 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1ddb s THR 58 N -2.62 0.02 0.13 1.69 -1.32 -1.26 -5.13 115.64 107.15 1ddb s THR 58 Ca 0.41 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 1ddb s THR 58 Cb 0.19 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 1ddb s THR 58 CO -0.05 -0.08 0.00 0.47 -2.21 0.00 0.00 174.62 172.75 1ddb n ASP 59 N 2.07 -6.63 -4.76 8.08 8.00 -1.26 -4.66 116.55 117.39 1ddb n ASP 59 Ca -0.17 0.62 -0.41 0.00 0.71 0.00 0.00 54.79 55.54 1ddb n ASP 59 Cb 0.57 -1.77 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 1ddb n ASP 59 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ddb s GLY 60 N -6.08 2.33 0.00 0.44 0.00 -1.26 -4.57 107.32 98.18 1ddb s GLY 60 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1ddb s GLY 60 CO 0.00 2.44 0.00 -1.14 0.00 0.00 0.00 173.10 174.40 1ddb n SER 61 N 1.81 0.00 -3.24 1.64 3.41 -1.26 -5.15 113.62 110.83 1ddb n SER 61 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 1ddb n SER 61 Cb 0.38 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.47 1ddb n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddb n GLN 62 N 0.00 -2.18 -0.22 4.33 3.00 -1.26 -4.77 117.38 116.27 1ddb n GLN 62 Ca 0.00 -0.68 0.03 0.00 -0.01 0.00 0.00 57.00 56.34 1ddb n GLN 62 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 30.24 29.16 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ddb n ALA 63 N -4.01 -0.73 -2.49 -1.58 0.00 -1.26 -4.98 120.51 105.46 1ddb n ALA 63 Ca -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1ddb n ALA 63 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1ddb n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 64 N -3.57 -4.07 -5.01 0.00 7.64 -1.26 -5.03 113.62 102.32 1ddb n SER 64 Ca 0.00 1.56 -0.18 0.00 1.01 0.00 0.00 58.87 61.26 1ddb n SER 64 Cb 0.10 -5.24 0.03 0.00 -1.01 0.00 0.00 64.21 58.09 1ddb n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ddb s ARG 65 N -0.66 2.65 0.00 1.43 3.00 -1.26 -5.11 118.95 119.00 1ddb s ARG 65 Ca -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 55.73 54.23 1ddb s ARG 65 Cb 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 34.95 32.25 1ddb s ARG 65 CO 0.47 -0.48 0.00 0.43 0.00 0.00 0.00 175.30 175.72 1ddb n SER 66 N -2.00 0.00 -3.67 0.23 7.64 -1.26 -5.20 113.62 109.37 1ddb n SER 66 Ca 0.10 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 1ddb n SER 66 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1ddb n SER 66 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ddb s PHE 67 N 0.00 0.08 0.19 1.43 5.36 -1.26 -5.18 117.98 118.60 1ddb s PHE 67 Ca 0.00 -0.55 0.08 0.00 -0.96 0.00 0.00 56.93 55.50 1ddb s PHE 67 Cb 0.00 0.57 -0.05 0.00 -0.34 0.00 0.00 43.02 43.20 1ddb s PHE 67 CO 0.00 -1.24 -0.14 -0.80 -1.46 0.00 0.00 175.22 171.57 1ddb s ASN 68 N -2.99 2.51 0.00 6.13 -0.87 -1.26 -5.10 114.94 113.36 1ddb s ASN 68 Ca 0.16 -1.00 0.00 0.00 -1.57 0.00 0.00 52.86 50.45 1ddb s ASN 68 Cb -0.04 -0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1ddb s ASN 68 CO 0.09 -0.17 0.00 0.00 -2.57 0.00 0.00 177.10 174.45 1ddb n GLN 69 N -0.27 0.00 0.00 -0.60 6.02 -1.26 -5.16 117.38 116.12 1ddb n GLN 69 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1ddb n GLN 69 Cb 0.60 -0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddb n GLY 70 N 2.95 1.66 2.85 1.08 0.00 -1.26 -5.04 105.19 107.44 1ddb n GLY 70 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1ddb n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddb s ARG 71 N -2.19 0.30 0.63 1.61 3.00 -1.26 -5.15 118.95 115.88 1ddb s ARG 71 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 55.73 56.05 1ddb s ARG 71 Cb 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 34.95 34.30 1ddb s ARG 71 CO 0.00 -0.71 0.89 0.96 0.00 0.00 0.00 175.30 176.43 1ddb s ILE 72 N 2.46 2.46 -0.02 1.52 -4.36 -1.26 -5.11 121.20 116.89 1ddb s ILE 72 Ca 0.10 -0.52 0.02 0.00 -0.26 0.00 0.00 60.65 59.99 1ddb s ILE 72 Cb -0.15 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1ddb s ILE 72 CO -0.17 0.00 -0.06 -1.61 0.24 0.00 0.00 174.94 173.34 1ddb s GLU 73 N -4.98 0.61 0.85 0.37 8.01 -1.26 -5.16 118.70 117.15 1ddb s GLU 73 Ca 0.60 -0.19 -0.14 0.00 0.01 0.00 0.00 54.97 55.25 1ddb s GLU 73 Cb -0.10 -0.61 0.20 0.00 -4.31 0.00 0.00 34.13 29.32 1ddb s GLU 73 CO 0.41 0.07 0.94 -0.35 0.01 0.00 0.00 175.26 176.34 1ddb n PRO 74 N 3.29 -1.82 -0.25 0.39 -0.04 -1.26 -5.05 135.00 130.25 1ddb n PRO 74 Ca -0.17 -1.47 -0.15 0.00 -0.04 0.00 0.00 63.50 61.67 1ddb n PRO 74 Cb 0.55 -1.16 0.14 0.00 -0.04 0.00 0.00 33.50 32.99 1ddb n PRO 74 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ddb n ASP 75 N -4.05 -2.54 0.03 3.54 5.75 -1.26 -5.02 116.55 113.00 1ddb n ASP 75 Ca 0.12 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 1ddb n ASP 75 Cb 0.45 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1ddb n ASP 75 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ddb n SER 76 N -4.23 -0.14 0.00 -1.12 7.64 -1.26 -5.07 113.62 109.44 1ddb n SER 76 Ca 0.07 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1ddb n SER 76 Cb 0.29 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1ddb n SER 76 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ddb n GLU 77 N -2.71 0.00 -1.11 1.43 2.13 -1.26 -5.05 120.64 114.07 1ddb n GLU 77 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ddb n GLU 77 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ddb n GLU 77 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ddb n SER 78 N 0.00 -6.40 0.00 4.31 7.64 -1.26 -5.11 113.62 112.80 1ddb n SER 78 Ca 0.00 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1ddb n SER 78 Cb 0.00 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n GLN 79 N -0.20 -2.99 0.00 1.43 1.13 -1.26 -5.18 117.38 110.31 1ddb n GLN 79 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ddb n GLN 79 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1ddb n GLN 79 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ddb n GLU 80 N -0.14 0.00 0.00 -1.09 4.71 -1.26 -4.83 120.64 118.04 1ddb n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ddb n GLU 80 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ddb n GLU 80 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1ddb n GLU 81 N 0.00 0.00 -0.08 3.49 4.07 -1.26 -4.01 120.64 122.85 1ddb n GLU 81 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1ddb n GLU 81 Cb 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.22 1ddb n GLU 81 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1ddb n ILE 82 N 0.00 1.36 -0.31 6.31 -5.35 -1.26 -4.24 119.36 115.87 1ddb n ILE 82 Ca 0.00 -0.83 0.08 0.00 -0.27 0.00 0.00 62.75 61.73 1ddb n ILE 82 Cb 0.00 -0.54 0.25 0.00 -1.74 0.00 0.00 39.64 37.60 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1ddb h ILE 83 N 0.00 0.74 -0.62 7.28 1.08 -1.88 0.22 117.51 124.33 1ddb h ILE 83 Ca -0.47 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1ddb h ILE 83 Cb 2.14 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1ddb h ILE 83 CO 0.04 0.12 0.35 0.45 -0.69 0.00 0.00 178.15 178.42 1ddb h HIS 84 N 0.68 0.84 -0.08 1.37 3.86 -1.89 0.27 115.15 120.19 1ddb h HIS 84 Ca 0.49 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.70 1ddb h HIS 84 Cb 0.69 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1ddb h HIS 84 CO -0.07 0.59 0.00 -0.97 0.86 0.00 0.00 177.93 178.35 1ddb h ASN 85 N 0.84 -0.02 0.18 2.45 -0.73 -0.85 -0.77 115.58 116.68 1ddb h ASN 85 Ca 0.22 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 1ddb h ASN 85 Cb 0.02 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 1ddb h ASN 85 CO -0.04 0.00 -0.15 -0.29 -0.37 0.00 0.00 177.43 176.58 1ddb h ILE 86 N 0.03 1.02 0.45 2.57 6.09 -0.55 -1.28 117.51 125.85 1ddb h ILE 86 Ca 0.04 -0.54 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1ddb h ILE 86 Cb 0.04 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 1ddb h ILE 86 CO -0.06 0.15 -0.33 0.00 -3.07 0.00 0.00 178.15 174.84 1ddb h ALA 87 N 1.85 -0.79 -0.50 0.18 0.00 0.98 -0.38 119.26 120.61 1ddb h ALA 87 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ddb h ALA 87 Cb 0.29 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ddb h ALA 87 CO 0.02 -0.97 0.12 0.07 0.00 0.00 0.00 179.25 178.49 1ddb h ARG 88 N -0.77 0.75 0.00 0.00 0.11 -1.05 -0.86 114.38 112.56 1ddb h ARG 88 Ca -0.04 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 59.89 1ddb h ARG 88 Cb 0.66 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 1ddb h ARG 88 CO 0.01 0.68 -0.01 1.25 0.10 0.00 0.00 179.97 182.00 1ddb h HIS 89 N 0.73 0.00 0.79 4.08 2.76 -0.71 -2.56 115.15 120.23 1ddb h HIS 89 Ca 0.16 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1ddb h HIS 89 Cb 0.28 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1ddb h HIS 89 CO 0.01 0.01 -0.47 1.25 -1.30 0.00 0.00 177.93 177.44 1ddb h LEU 90 N 0.00 -1.17 0.12 0.26 5.85 0.42 0.55 115.31 121.34 1ddb h LEU 90 Ca -0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ddb h LEU 90 Cb 0.07 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1ddb h LEU 90 CO 0.00 -0.73 -0.32 0.00 -0.34 0.00 0.00 178.44 177.06 1ddb h ALA 91 N -1.25 -0.54 -0.82 1.25 0.00 -1.57 0.78 119.26 117.11 1ddb h ALA 91 Ca -0.11 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.98 1ddb h ALA 91 Cb 0.93 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1ddb h ALA 91 CO 0.12 -0.86 0.58 0.37 0.00 0.00 0.00 179.25 179.45 1ddb h GLN 92 N -0.54 0.11 -0.30 0.00 4.15 -1.40 0.62 115.11 117.75 1ddb h GLN 92 Ca 0.03 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 1ddb h GLN 92 Cb 0.57 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1ddb h GLN 92 CO -0.19 0.07 -0.36 0.82 -1.93 0.00 0.00 178.83 177.25 1ddb h ILE 93 N 0.11 1.29 0.13 2.39 2.04 0.24 -2.65 117.51 121.05 1ddb h ILE 93 Ca 0.40 -1.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1ddb h ILE 93 Cb 1.41 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1ddb h ILE 93 CO -0.05 0.49 -0.08 1.23 0.00 0.00 0.00 178.15 179.73 1ddb h GLY 94 N 0.98 -0.20 0.42 5.37 0.00 0.17 1.54 103.07 111.34 1ddb h GLY 94 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.51 1ddb h GLY 94 CO 0.08 -0.09 -0.22 -1.80 0.00 0.00 0.00 176.54 174.51 1ddb h ASP 95 N -0.21 -0.67 -0.23 0.19 3.58 -1.40 -1.07 116.42 116.62 1ddb h ASP 95 Ca -0.01 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1ddb h ASP 95 Cb 0.18 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1ddb h ASP 95 CO 0.01 -0.28 -0.05 1.05 -2.88 0.00 0.00 179.24 177.08 1ddb h GLU 96 N -0.32 0.58 -0.64 0.28 4.11 -1.26 -2.96 114.58 114.36 1ddb h GLU 96 Ca 0.08 -0.15 0.13 0.00 0.07 0.00 0.00 59.36 59.48 1ddb h GLU 96 Cb 0.43 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1ddb h GLU 96 CO -0.24 0.64 -0.19 1.98 0.07 0.00 0.00 179.01 181.27 1ddb h MET 97 N 0.54 -0.03 -1.65 1.06 4.05 0.35 0.73 114.93 119.99 1ddb h MET 97 Ca 0.11 0.00 0.48 0.00 -0.28 0.00 0.00 59.70 60.01 1ddb h MET 97 Cb 0.43 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.17 1ddb h MET 97 CO 0.02 -0.02 1.32 0.22 0.23 0.00 0.00 176.91 178.69 1ddb h ASP 98 N -0.03 0.00 -0.77 1.39 3.58 -1.27 1.72 116.42 121.04 1ddb h ASP 98 Ca 0.30 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.87 1ddb h ASP 98 Cb 0.49 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 1ddb h ASP 98 CO -0.67 0.00 0.37 -0.74 -2.88 0.00 0.00 179.24 175.32 1ddb h HIS 99 N 0.00 0.65 -2.20 0.28 2.76 0.32 -3.33 115.15 113.64 1ddb h HIS 99 Ca 0.78 0.03 -0.48 0.00 -2.20 0.00 0.00 60.37 58.51 1ddb h HIS 99 Cb 3.42 -0.17 -0.34 0.00 1.55 0.00 0.00 27.41 31.87 1ddb h HIS 99 CO 0.00 0.18 -0.79 -0.80 -1.30 0.00 0.00 177.93 175.21 1ddb s ASN 100 N -5.44 1.69 -0.59 3.26 0.01 0.59 -5.05 114.94 109.40 1ddb s ASN 100 Ca -0.12 -2.11 0.04 0.00 -0.71 0.00 0.00 52.86 49.96 1ddb s ASN 100 Cb 0.20 0.11 0.16 0.00 0.41 0.00 0.00 41.25 42.12 1ddb s ASN 100 CO 0.77 -0.25 0.40 -0.63 -1.51 0.00 0.00 177.10 175.89 1ddb s ILE 101 N 0.99 2.17 0.00 0.60 1.01 -1.18 -4.77 121.20 120.03 1ddb s ILE 101 Ca 0.21 -3.63 0.00 0.00 0.00 0.00 0.00 60.65 57.24 1ddb s ILE 101 Cb -0.13 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1ddb s ILE 101 CO -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 174.94 173.88 1ddb n GLN 102 N 2.48 0.00 0.00 2.79 10.64 -1.26 -4.73 117.38 127.30 1ddb n GLN 102 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1ddb n GLN 102 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.75 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1ddb n PRO 103 N 0.00 0.75 0.00 2.61 -0.04 -1.26 -4.14 135.00 132.92 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.48 0.00 0.00 0.52 5.66 -1.26 -4.90 114.28 113.81 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddb n THR 104 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ddb n LEU 105 N 0.00 0.00 0.29 1.09 0.00 -1.26 -5.04 117.00 112.08 1ddb n LEU 105 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 1ddb n LEU 105 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 1ddb n LEU 105 CO 0.00 0.00 0.45 0.58 0.00 0.00 0.00 177.39 178.42 1ddb h VAL 106 N 0.00 0.00 -0.88 1.96 2.07 -1.90 0.42 116.25 117.92 1ddb h VAL 106 Ca 0.00 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1ddb h VAL 106 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1ddb h VAL 106 CO 0.00 0.00 0.48 -0.09 0.02 0.00 0.00 177.57 177.98 1ddb h ARG 107 N -0.85 0.67 0.00 1.57 2.43 -1.96 0.43 114.38 116.67 1ddb h ARG 107 Ca -0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1ddb h ARG 107 Cb 0.58 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ddb h ARG 107 CO 0.13 0.45 -0.09 1.96 -1.51 0.00 0.00 179.97 180.90 1ddb h GLN 108 N 0.69 0.00 0.00 0.20 1.08 -1.87 0.45 115.11 115.67 1ddb h GLN 108 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1ddb h GLN 108 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1ddb h GLN 108 CO -0.34 0.09 0.00 -0.11 -0.95 0.00 0.00 178.83 177.52 1ddb n LEU 109 N -4.43 0.12 -0.13 1.46 -0.00 0.15 0.57 117.00 114.74 1ddb n LEU 109 Ca -0.03 0.76 -0.04 0.00 -0.00 0.00 0.00 56.01 56.69 1ddb n LEU 109 Cb 0.17 -0.31 0.04 0.00 -0.00 0.00 0.00 43.42 43.32 1ddb n LEU 109 CO 0.35 -0.31 0.91 0.00 -0.00 0.00 0.00 177.39 178.34 1ddb h ALA 110 N -2.00 0.45 0.00 1.96 0.00 -1.47 0.65 119.26 118.85 1ddb h ALA 110 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ddb h ALA 110 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ddb h ALA 110 CO 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1ddb n ALA 111 N -2.45 1.15 -0.06 0.00 0.00 0.16 -1.79 120.51 117.52 1ddb n ALA 111 Ca 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1ddb n ALA 111 Cb 0.19 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1ddb n ALA 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ddb h GLN 112 N 0.00 0.32 -0.46 0.00 3.07 0.58 -2.94 115.11 115.69 1ddb h GLN 112 Ca 0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 1ddb h GLN 112 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.55 1ddb h GLN 112 CO 0.00 0.32 -0.02 0.27 0.09 0.00 0.00 178.83 179.50 1ddb h PHE 113 N 0.24 0.90 -0.09 0.06 -5.15 -1.37 -3.39 116.94 108.14 1ddb h PHE 113 Ca 0.08 -0.16 -0.05 0.00 -0.20 0.00 0.00 57.97 57.63 1ddb h PHE 113 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 36.02 1ddb h PHE 113 CO -0.03 0.87 0.62 0.00 -2.00 0.00 0.00 178.31 177.78 1ddb n MET 114 N -4.35 0.13 -2.81 6.09 0.00 -1.11 -4.45 117.12 110.62 1ddb n MET 114 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 57.70 56.92 1ddb n MET 114 Cb 0.32 -2.53 0.05 0.00 0.00 0.00 0.00 33.22 31.06 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1ddb n ASN 115 N 12.73 1.29 -0.43 3.17 5.15 -1.26 -5.00 115.26 130.90 1ddb n ASN 115 Ca 0.33 -2.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.20 1ddb n ASN 115 Cb 0.42 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 116 N -0.62 5.01 1.11 8.20 0.00 -1.26 -5.08 105.19 112.55 1ddb n GLY 116 Ca 0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 117 N -1.01 -0.69 -1.02 1.61 2.88 -1.26 -5.03 113.62 109.11 1ddb n SER 117 Ca 0.00 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 1ddb n SER 117 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1ddb n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n LEU 118 N 0.05 -1.36 -3.78 2.46 -0.00 -1.26 -4.98 117.00 108.13 1ddb n LEU 118 Ca -0.22 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.65 1ddb n LEU 118 Cb 0.77 -0.68 -0.14 0.00 -0.00 0.00 0.00 43.42 43.37 1ddb n LEU 118 CO -0.12 0.00 -0.24 -0.55 -0.00 0.00 0.00 177.39 176.48 1ddb s SER 119 N 0.00 -0.10 0.00 1.45 0.15 -1.26 -4.73 113.70 109.21 1ddb s SER 119 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1ddb s SER 119 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1ddb s SER 119 CO 0.00 -0.11 0.00 1.21 1.20 0.00 0.00 173.24 175.54 1ddb n GLU 120 N 3.79 0.00 0.00 5.44 4.07 -1.26 -3.89 120.64 128.79 1ddb n GLU 120 Ca -0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 1ddb n GLU 120 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ddb n GLU 121 N 0.00 0.00 -3.08 5.31 1.02 -1.26 -5.02 120.64 117.61 1ddb n GLU 121 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1ddb n GLU 121 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ddb n ASP 122 N 0.00 -7.19 -3.50 1.62 8.00 -1.26 -4.50 116.55 109.72 1ddb n ASP 122 Ca 0.00 0.25 -0.34 0.00 0.71 0.00 0.00 54.79 55.40 1ddb n ASP 122 Cb 0.00 -4.28 -0.11 0.00 -0.02 0.00 0.00 41.12 36.71 1ddb n ASP 122 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ddb n LYS 123 N -0.48 0.00 -0.00 -1.24 5.02 -1.25 -4.65 118.16 115.55 1ddb n LYS 123 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1ddb n LYS 123 Cb 0.53 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ddb n ARG 124 N 6.55 2.59 -0.11 1.97 -4.01 -1.26 -4.58 116.66 117.81 1ddb n ARG 124 Ca 0.50 -0.03 -0.12 0.00 -1.04 0.00 0.00 57.85 57.17 1ddb n ARG 124 Cb 0.02 -0.97 -0.03 0.00 -3.04 0.00 0.00 32.46 28.43 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1ddb h ASN 125 N 0.00 0.70 0.03 2.89 2.35 -1.95 -1.73 115.58 117.87 1ddb h ASN 125 Ca 0.00 -0.41 0.03 0.00 -0.55 0.00 0.00 56.30 55.37 1ddb h ASN 125 Cb 0.22 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1ddb h ASN 125 CO 0.00 0.95 -0.32 0.00 -1.65 0.00 0.00 177.43 176.41 1ddb n LEU 127 N -5.41 0.00 -0.37 0.00 -0.00 -1.18 -1.18 117.00 108.85 1ddb n LEU 127 Ca -0.05 1.00 0.32 0.00 -0.00 0.00 0.00 56.01 57.27 1ddb n LEU 127 Cb 0.33 -0.50 0.64 0.00 -0.00 0.00 0.00 43.42 43.90 1ddb n LEU 127 CO 0.20 -0.50 1.28 0.00 -0.00 0.00 0.00 177.39 178.38 1ddb h ALA 128 N -1.63 2.76 0.00 1.47 0.00 -1.18 3.09 119.26 123.78 1ddb h ALA 128 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ddb h ALA 128 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ddb h ALA 128 CO 0.00 -1.19 -0.05 0.87 0.00 0.00 0.00 179.25 178.88 1ddb h LYS 129 N 0.17 0.00 -0.05 0.00 1.57 0.38 -1.06 116.57 117.58 1ddb h LYS 129 Ca 0.64 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.17 1ddb h LYS 129 Cb 2.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.45 1ddb h LYS 129 CO -0.19 0.05 -0.96 0.00 -0.57 0.00 0.00 179.45 177.78 1ddb h ALA 130 N 1.95 0.21 -0.67 3.86 0.00 0.70 -2.05 119.26 123.25 1ddb h ALA 130 Ca -0.00 -0.67 0.14 0.00 0.00 0.00 0.00 54.91 54.38 1ddb h ALA 130 Cb 0.16 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1ddb h ALA 130 CO 0.01 0.70 0.07 1.37 0.00 0.00 0.00 179.25 181.39 1ddb h LEU 131 N 0.42 -0.17 -0.26 0.00 8.10 -0.96 4.78 115.31 127.22 1ddb h LEU 131 Ca -0.10 0.15 -0.16 0.00 0.11 0.00 0.00 57.88 57.88 1ddb h LEU 131 Cb 1.60 0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 42.07 1ddb h LEU 131 CO 0.19 -0.09 -0.45 -0.78 -4.11 0.00 0.00 178.44 173.19 1ddb h ASP 132 N 0.17 0.86 0.61 0.17 1.82 -1.55 -1.79 116.42 116.72 1ddb h ASP 132 Ca 0.36 -0.53 -0.03 0.00 -0.39 0.00 0.00 57.03 56.45 1ddb h ASP 132 Cb 0.61 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.38 1ddb h ASP 132 CO -0.53 1.22 -0.29 -0.08 -1.61 0.00 0.00 179.24 177.94 1ddb h GLU 133 N 0.52 -0.79 -1.06 0.28 4.57 -0.03 0.83 114.58 118.90 1ddb h GLU 133 Ca 0.02 0.05 0.28 0.00 -1.18 0.00 0.00 59.36 58.53 1ddb h GLU 133 Cb 1.05 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.74 1ddb h GLU 133 CO 0.10 -0.51 0.69 -0.24 -1.18 0.00 0.00 179.01 177.87 1ddb h VAL 134 N -1.20 0.50 0.18 0.32 3.04 0.92 0.32 116.25 120.35 1ddb h VAL 134 Ca -0.08 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 1ddb h VAL 134 Cb 0.64 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1ddb h VAL 134 CO 0.14 0.06 -0.09 0.50 -1.01 0.00 0.00 177.57 177.17 1ddb h LYS 135 N 0.34 -0.24 -0.79 4.17 3.64 -1.19 1.20 116.57 123.70 1ddb h LYS 135 Ca 0.59 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 60.22 1ddb h LYS 135 Cb 1.61 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.45 1ddb h LYS 135 CO -0.26 -0.16 0.93 1.79 -2.27 0.00 0.00 179.45 179.48 1ddb h THR 136 N -0.85 0.13 0.03 1.00 1.35 0.17 2.24 112.91 116.97 1ddb h THR 136 Ca -0.03 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.45 1ddb h THR 136 Cb 0.19 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 66.80 1ddb h THR 136 CO 0.04 0.00 -2.24 0.00 -0.25 0.00 0.00 175.52 173.08 1ddb n ALA 137 N -2.26 1.17 -3.07 6.62 0.00 0.10 -4.64 120.51 118.44 1ddb n ALA 137 Ca 0.17 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 52.45 1ddb n ALA 137 Cb 1.19 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 1ddb n ALA 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ddb n PHE 138 N -3.71 3.06 -2.54 0.00 3.72 0.41 -5.07 117.46 113.33 1ddb n PHE 138 Ca -0.43 -3.97 -0.35 0.00 -0.05 0.00 0.00 57.45 52.65 1ddb n PHE 138 Cb 0.94 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ddb s PRO 139 N -3.04 3.98 0.00 -1.08 0.04 0.70 -4.02 135.00 131.58 1ddb s PRO 139 Ca 0.45 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ddb s PRO 139 Cb 0.27 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ddb s PRO 139 CO -0.11 -0.29 0.00 0.54 0.04 0.00 0.00 177.00 177.18 1ddb n ARG 140 N -0.52 -1.79 0.00 4.56 1.74 -1.26 -4.58 116.66 114.81 1ddb n ARG 140 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ddb n ARG 140 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 2.14 0.00 0.11 0.55 8.00 -1.26 -3.41 116.55 122.68 1ddb n ASP 141 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1ddb n ASP 141 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ddb h MET 142 N 0.00 0.23 0.48 -1.24 1.85 -2.00 0.71 114.93 114.97 1ddb h MET 142 Ca 0.00 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.00 1ddb h MET 142 Cb 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1ddb h MET 142 CO 0.00 0.44 -0.23 0.93 -0.40 0.00 0.00 176.91 177.65 1ddb h GLU 143 N 0.21 -0.62 0.66 0.39 3.07 -1.96 -1.26 114.58 115.07 1ddb h GLU 143 Ca 0.04 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1ddb h GLU 143 Cb 0.51 0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1ddb h GLU 143 CO 0.03 -0.42 -0.31 -0.97 -1.40 0.00 0.00 179.01 175.94 1ddb h ASN 144 N -0.91 -0.75 -0.98 1.42 -0.00 -1.69 0.30 115.58 112.98 1ddb h ASN 144 Ca -0.07 -0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.40 1ddb h ASN 144 Cb 0.50 0.19 -0.17 0.00 -0.00 0.00 0.00 38.32 38.84 1ddb h ASN 144 CO 0.11 -0.38 -0.33 -0.78 -0.00 0.00 0.00 177.43 176.05 1ddb h ASP 145 N -1.16 -1.21 0.46 1.15 1.82 0.43 3.15 116.42 121.06 1ddb h ASP 145 Ca -0.09 0.30 -0.08 0.00 -0.39 0.00 0.00 57.03 56.78 1ddb h ASP 145 Cb 0.70 0.69 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 1ddb h ASP 145 CO 0.15 -0.30 -0.36 0.50 -1.61 0.00 0.00 179.24 177.61 1ddb h LYS 146 N -0.01 0.00 0.65 0.28 3.64 -1.17 -2.35 116.57 117.61 1ddb h LYS 146 Ca 0.40 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1ddb h LYS 146 Cb 0.65 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1ddb h LYS 146 CO -0.99 0.36 -0.31 0.00 -2.27 0.00 0.00 179.45 176.24 1ddb h ALA 147 N 1.64 -0.87 -0.43 5.00 0.00 0.93 -0.35 119.26 125.17 1ddb h ALA 147 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 147 Cb 0.70 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1ddb h ALA 147 CO 0.05 -0.92 0.06 0.00 0.00 0.00 0.00 179.25 178.44 1ddb h MET 148 N -1.00 0.18 -0.86 0.00 -0.00 0.06 -0.49 114.93 112.82 1ddb h MET 148 Ca -0.09 -0.01 0.10 0.00 -0.00 0.00 0.00 59.70 59.70 1ddb h MET 148 Cb 0.70 -0.04 -0.08 0.00 -0.00 0.00 0.00 31.60 32.19 1ddb h MET 148 CO 0.15 0.12 0.50 1.25 -0.00 0.00 0.00 176.91 178.93 1ddb h LEU 149 N 0.19 0.72 -1.96 -0.10 6.46 -1.34 0.38 115.31 119.66 1ddb h LEU 149 Ca 0.21 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.13 1ddb h LEU 149 Cb 0.28 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1ddb h LEU 149 CO -0.30 0.41 0.28 0.40 -0.62 0.00 0.00 178.44 178.61 1ddb h ILE 150 N 0.83 0.82 0.25 4.05 5.03 0.60 -1.56 117.51 127.54 1ddb h ILE 150 Ca 0.42 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 65.13 1ddb h ILE 150 Cb 0.39 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1ddb h ILE 150 CO -0.25 0.01 -0.12 0.24 -0.68 0.00 0.00 178.15 177.35 1ddb h MET 151 N 0.05 -0.33 -0.19 2.37 2.86 0.25 0.51 114.93 120.44 1ddb h MET 151 Ca 0.19 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1ddb h MET 151 Cb 0.69 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 1ddb h MET 151 CO -0.01 -0.15 -0.28 0.00 1.06 0.00 0.00 176.91 177.53 1ddb h THR 152 N -0.43 0.35 0.00 2.22 1.03 -1.16 0.10 112.91 115.02 1ddb h THR 152 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.33 1ddb h THR 152 Cb 0.32 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 67.75 1ddb h THR 152 CO 0.06 0.00 -0.17 0.24 -0.01 0.00 0.00 175.52 175.64 1ddb h MET 153 N -0.31 0.00 0.56 0.00 2.07 -1.42 -3.06 114.93 112.77 1ddb h MET 153 Ca 0.12 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1ddb h MET 153 Cb 0.50 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.21 1ddb h MET 153 CO -0.37 0.17 -0.44 1.25 1.07 0.00 0.00 176.91 178.60 1ddb h LEU 154 N 0.00 -1.15 -0.67 1.22 7.12 0.26 1.96 115.31 124.05 1ddb h LEU 154 Ca -0.00 0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.23 1ddb h LEU 154 Cb 0.49 0.36 -0.11 0.00 -0.53 0.00 0.00 40.66 40.87 1ddb h LEU 154 CO 0.02 -0.63 0.08 -0.07 -0.13 0.00 0.00 178.44 177.71 1ddb h LEU 155 N -0.97 -0.15 0.25 2.25 4.07 -1.31 0.26 115.31 119.71 1ddb h LEU 155 Ca -0.07 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1ddb h LEU 155 Cb 0.82 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1ddb h LEU 155 CO 0.01 -0.08 -0.12 0.00 -1.08 0.00 0.00 178.44 177.16 1ddb h ALA 156 N 1.59 -0.34 -0.86 1.53 0.00 -1.40 2.79 119.26 122.56 1ddb h ALA 156 Ca 0.37 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.35 1ddb h ALA 156 Cb 0.61 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1ddb h ALA 156 CO -0.53 -0.58 0.14 -0.22 0.00 0.00 0.00 179.25 178.07 1ddb h LYS 157 N -0.56 0.14 0.19 0.00 1.63 0.46 0.13 116.57 118.56 1ddb h LYS 157 Ca -0.03 -0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.50 1ddb h LYS 157 Cb 0.41 -0.03 0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1ddb h LYS 157 CO 0.06 0.09 -1.15 0.87 -3.45 0.00 0.00 179.45 175.87 1ddb h LYS 158 N 0.14 0.40 -6.30 1.90 1.79 -0.31 -3.27 116.57 110.94 1ddb h LYS 158 Ca 0.52 -0.69 -0.65 0.00 -2.18 0.00 0.00 60.65 57.65 1ddb h LYS 158 Cb 1.03 0.26 -0.12 0.00 -1.58 0.00 0.00 32.23 31.82 1ddb h LYS 158 CO -0.70 1.33 -0.66 0.08 -1.08 0.00 0.00 179.45 178.42 1ddb s VAL 159 N -2.51 4.06 0.00 0.50 1.01 0.93 0.78 120.40 125.18 1ddb s VAL 159 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1ddb s VAL 159 Cb 0.02 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1ddb s VAL 159 CO 0.88 0.18 0.00 0.00 0.00 0.00 0.00 175.10 176.16 1ddb n ALA 160 N 0.76 0.00 0.09 5.51 0.00 0.08 -3.67 120.51 123.28 1ddb n ALA 160 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1ddb n ALA 160 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1ddb n ALA 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 161 N 2.24 1.40 0.00 0.00 2.88 -1.24 -4.37 113.62 114.53 1ddb n SER 161 Ca 0.00 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1ddb n SER 161 Cb 0.00 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 1ddb n SER 161 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ddb n HIS 162 N -1.23 0.00 -3.71 0.66 -0.00 -1.08 -4.94 115.22 104.92 1ddb n HIS 162 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1ddb n HIS 162 Cb 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.91 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -1.91 2.04 -0.21 1.57 0.00 4.13 -4.82 121.76 122.57 1ddb s ALA 163 Ca 0.00 -2.44 -0.05 0.00 0.00 0.00 0.00 51.96 49.47 1ddb s ALA 163 Cb 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 23.12 21.09 1ddb s ALA 163 CO 0.00 -2.01 2.78 -0.35 0.00 0.00 0.00 175.76 176.19 1ddb n PRO 164 N 3.76 1.72 0.00 0.00 -0.04 -1.26 -0.74 135.00 138.43 1ddb n PRO 164 Ca 0.07 -0.92 0.06 0.00 -0.04 0.00 0.00 63.50 62.67 1ddb n PRO 164 Cb 0.36 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N 2.85 1.28 -3.74 3.54 7.64 -1.26 -4.93 113.62 118.99 1ddb n SER 165 Ca 0.37 -1.14 -0.15 0.00 1.01 0.00 0.00 58.87 58.96 1ddb n SER 165 Cb 0.60 0.52 -0.15 0.00 -1.01 0.00 0.00 64.21 64.17 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ddb s LEU 166 N -1.84 0.72 0.00 -3.43 1.02 -1.24 -4.90 118.68 109.01 1ddb s LEU 166 Ca 0.10 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.44 1ddb s LEU 166 Cb 0.10 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.47 1ddb s LEU 166 CO 0.32 -0.16 0.00 -0.11 0.02 0.00 0.00 176.35 176.42 1ddb n LEU 167 N 4.39 0.00 -0.20 1.79 0.00 -1.26 -4.02 117.00 117.69 1ddb n LEU 167 Ca -0.23 0.00 0.22 0.00 0.00 0.00 0.00 56.01 56.00 1ddb n LEU 167 Cb 0.51 0.00 0.59 0.00 0.00 0.00 0.00 43.42 44.52 1ddb n LEU 167 CO 0.17 0.00 1.23 -0.09 0.00 0.00 0.00 177.39 178.70 1ddb h ARG 168 N 0.00 0.24 -0.27 1.96 1.12 -1.94 0.24 114.38 115.74 1ddb h ARG 168 Ca 0.00 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 1ddb h ARG 168 Cb 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1ddb h ARG 168 CO 0.00 0.16 0.03 -0.44 -3.11 0.00 0.00 179.97 176.61 1ddb h ASP 169 N 0.25 0.44 0.39 -3.80 5.19 -1.91 1.28 116.42 118.25 1ddb h ASP 169 Ca 0.44 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1ddb h ASP 169 Cb 1.32 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 1ddb h ASP 169 CO -0.11 0.61 -0.37 1.62 -3.12 0.00 0.00 179.24 177.86 1ddb h VAL 170 N 0.25 0.24 0.14 -1.35 3.04 -0.71 1.31 116.25 119.18 1ddb h VAL 170 Ca 0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.76 1ddb h VAL 170 Cb 0.37 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1ddb h VAL 170 CO 0.01 0.00 -0.07 0.15 -1.01 0.00 0.00 177.57 176.65 1ddb h PHE 171 N -0.78 -0.18 -0.07 3.17 3.57 -1.25 -2.27 116.94 119.14 1ddb h PHE 171 Ca -0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ddb h PHE 171 Cb 0.69 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ddb h PHE 171 CO -0.20 0.07 0.09 1.25 -2.23 0.00 0.00 178.31 177.28 1ddb h HIS 172 N -0.40 0.00 -0.25 0.41 2.76 0.18 -0.65 115.15 117.19 1ddb h HIS 172 Ca -0.02 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1ddb h HIS 172 Cb 0.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1ddb h HIS 172 CO -0.00 0.00 -0.13 1.15 -1.30 0.00 0.00 177.93 177.65 1ddb h THR 173 N 0.00 1.30 0.19 6.26 2.02 0.23 -1.37 112.91 121.54 1ddb h THR 173 Ca 0.04 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1ddb h THR 173 Cb 0.22 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1ddb h THR 173 CO -0.00 0.38 -0.09 0.71 0.37 0.00 0.00 175.52 176.89 1ddb h THR 174 N 0.26 0.00 0.00 3.16 1.35 -0.68 -2.45 112.91 114.55 1ddb h THR 174 Ca 0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1ddb h THR 174 Cb 0.64 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1ddb h THR 174 CO 0.04 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.83 1ddb n VAL 175 N -2.81 0.00 0.12 6.82 0.31 -0.90 -2.45 118.33 119.43 1ddb n VAL 175 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.22 1ddb n VAL 175 Cb 0.10 -0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 32.43 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 -0.32 -0.26 4.52 7.08 -0.73 0.85 115.58 126.72 1ddb h ASN 176 Ca 0.00 -0.10 -0.00 0.00 -3.08 0.00 0.00 56.30 53.12 1ddb h ASN 176 Cb 0.00 0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.31 1ddb h ASN 176 CO 0.00 0.16 0.16 -0.26 -2.08 0.00 0.00 177.43 175.41 1ddb h PHE 177 N -1.05 0.34 -0.38 4.14 -1.00 -1.55 -0.06 116.94 117.38 1ddb h PHE 177 Ca -0.04 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1ddb h PHE 177 Cb 0.40 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1ddb h PHE 177 CO 0.03 0.25 0.20 0.82 -1.61 0.00 0.00 178.31 178.00 1ddb h ILE 178 N 0.33 1.16 -0.96 -0.55 2.04 -1.68 -2.00 117.51 115.84 1ddb h ILE 178 Ca 0.09 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1ddb h ILE 178 Cb 0.01 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1ddb h ILE 178 CO -0.02 0.16 0.62 -1.13 0.00 0.00 0.00 178.15 177.78 1ddb h ASN 179 N 0.49 0.92 0.00 1.72 -1.24 -0.50 0.40 115.58 117.36 1ddb h ASN 179 Ca 0.13 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1ddb h ASN 179 Cb 0.08 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1ddb h ASN 179 CO -0.02 0.54 0.00 1.67 -1.29 0.00 0.00 177.43 178.33 1ddb n GLN 180 N -4.54 0.00 0.00 6.67 -0.06 -0.06 -4.71 117.38 114.67 1ddb n GLN 180 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1ddb n GLN 180 Cb 0.28 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.46 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1ddb n ASN 181 N 0.00 0.56 -2.21 1.69 5.15 -1.22 -4.69 115.26 114.54 1ddb n ASN 181 Ca 0.00 -0.82 -0.28 0.00 -0.60 0.00 0.00 54.58 52.87 1ddb n ASN 181 Cb 0.00 0.23 0.06 0.00 -0.53 0.00 0.00 39.78 39.54 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddb n LEU 182 N -0.23 7.21 -0.32 1.20 7.99 -1.10 -4.71 117.00 127.05 1ddb n LEU 182 Ca 0.00 -3.96 0.27 0.00 -0.01 0.00 0.00 56.01 52.31 1ddb n LEU 182 Cb 0.04 -1.02 0.45 0.00 -0.11 0.00 0.00 43.42 42.77 1ddb n LEU 182 CO 0.00 1.41 0.80 0.33 -1.51 0.00 0.00 177.39 178.42 1ddb n PHE 183 N -0.37 0.40 -2.73 -1.77 -0.00 0.14 -3.65 117.46 109.49 1ddb n PHE 183 Ca 0.50 0.41 0.02 0.00 -0.00 0.00 0.00 57.45 58.38 1ddb n PHE 183 Cb 0.60 -0.79 0.01 0.00 -0.00 0.00 0.00 39.48 39.30 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1ddb s SER 184 N -4.33 -0.13 0.15 -2.13 0.15 -1.26 -4.30 113.70 101.85 1ddb s SER 184 Ca -0.05 -0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 1ddb s SER 184 Cb 0.20 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1ddb s SER 184 CO 0.53 -0.01 1.58 0.22 1.20 0.00 0.00 173.24 176.76 1ddb h TYR 185 N 5.29 -1.13 -0.82 3.44 3.20 -1.94 0.95 116.97 125.96 1ddb h TYR 185 Ca -0.05 0.06 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1ddb h TYR 185 Cb 1.24 0.54 -0.11 0.00 1.54 0.00 0.00 36.73 39.93 1ddb h TYR 185 CO -0.16 -0.44 0.31 0.28 -1.64 0.00 0.00 178.16 176.51 1ddb h VAL 186 N -0.38 0.53 -0.45 1.81 2.07 -1.97 0.20 116.25 118.07 1ddb h VAL 186 Ca 0.12 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1ddb h VAL 186 Cb 0.59 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1ddb h VAL 186 CO -0.49 0.07 0.07 -0.09 0.02 0.00 0.00 177.57 177.16 1ddb h ARG 187 N 0.38 0.20 -0.78 1.57 1.12 -1.26 -0.11 114.38 115.49 1ddb h ARG 187 Ca 0.48 -0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.45 1ddb h ARG 187 Cb 0.85 -0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.69 1ddb h ARG 187 CO -0.49 0.13 0.42 -0.97 -3.11 0.00 0.00 179.97 175.94 1ddb h ASN 188 N 0.20 0.56 -0.08 -3.80 -0.73 0.44 0.42 115.58 112.59 1ddb h ASN 188 Ca 0.22 0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.48 1ddb h ASN 188 Cb 0.29 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 1ddb h ASN 188 CO -0.30 0.30 -0.07 0.25 -0.37 0.00 0.00 177.43 177.24 1ddb h LEU 189 N 0.68 -0.21 -0.74 0.34 5.85 -0.31 -0.95 115.31 119.97 1ddb h LEU 189 Ca 0.39 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.25 1ddb h LEU 189 Cb 0.42 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1ddb h LEU 189 CO -0.28 -0.10 0.38 1.62 -0.34 0.00 0.00 178.44 179.73 1ddb h VAL 190 N -0.08 0.87 -0.45 1.05 3.04 0.05 -0.89 116.25 119.84 1ddb h VAL 190 Ca 0.06 -0.22 0.07 0.00 -1.01 0.00 0.00 66.70 65.59 1ddb h VAL 190 Cb 0.16 0.16 -0.06 0.00 -2.01 0.00 0.00 31.29 29.55 1ddb h VAL 190 CO -0.13 0.12 0.11 -0.09 -1.01 0.00 0.00 177.57 176.57 1ddb h ARG 191 N 0.65 0.25 -0.57 4.17 2.43 -0.00 -1.21 114.38 120.09 1ddb h ARG 191 Ca 0.36 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 1ddb h ARG 191 Cb 0.36 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1ddb h ARG 191 CO -0.26 0.16 0.24 -0.91 -1.51 0.00 0.00 179.97 177.69 1ddb h ASN 192 N 0.26 0.28 -4.77 -3.80 2.35 0.10 -3.45 115.58 106.54 1ddb h ASN 192 Ca 0.22 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1ddb h ASN 192 Cb 0.26 0.02 -0.17 0.00 0.05 0.00 0.00 38.32 38.47 1ddb h ASN 192 CO -0.26 0.18 0.31 -1.61 -1.65 0.00 0.00 177.43 174.40 1ddb s GLU 193 N -6.11 0.99 0.09 0.81 2.02 -0.46 -5.12 118.70 110.93 1ddb s GLU 193 Ca -0.13 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1ddb s GLU 193 Cb 0.16 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.85 1ddb s GLU 193 CO 0.74 -0.37 0.00 -0.12 0.02 0.00 0.00 175.26 175.54 1ddb n MET 194 N 0.36 -0.74 0.00 1.61 1.56 -1.23 -3.94 117.12 114.73 1ddb n MET 194 Ca -0.15 0.56 0.00 0.00 -0.27 0.00 0.00 57.70 57.84 1ddb n MET 194 Cb 0.60 -0.66 0.00 0.00 2.15 0.00 0.00 33.22 35.31 1ddb n MET 194 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84