#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 0.00 0.00 6.12 5.75 -1.26 -5.19 116.55 121.97 1ddb n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ddb n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ddb n SER 3 N 0.00 0.00 -0.40 -1.12 7.64 -1.26 -5.17 113.62 113.31 1ddb n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddb n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddb n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ddb n GLU 4 N -0.04 0.00 -1.51 1.43 2.13 -1.26 -5.04 120.64 116.35 1ddb n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ddb n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ddb n GLU 4 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ddb n VAL 5 N -0.79 -5.26 0.00 6.31 0.31 -1.26 -4.99 118.33 112.65 1ddb n VAL 5 Ca 0.00 2.16 0.00 0.00 -0.01 0.00 0.00 64.34 66.49 1ddb n VAL 5 Cb 0.00 -3.10 0.00 0.00 -0.91 0.00 0.00 33.84 29.83 1ddb n VAL 5 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ddb n SER 6 N 0.40 0.00 0.00 4.52 2.88 -1.26 -5.04 113.62 115.11 1ddb n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ddb n SER 6 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ddb n ASN 7 N 0.00 0.00 0.00 -3.46 2.85 -1.26 -5.03 115.26 108.35 1ddb n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ddb n ASN 7 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 8 N 0.00 5.21 0.00 8.20 0.00 -1.26 -4.59 105.19 112.75 1ddb n GLY 8 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ddb n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 9 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.04 113.62 116.57 1ddb n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddb n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 10 N 0.77 -1.57 0.01 0.23 0.00 -1.26 -4.84 105.19 98.53 1ddb n GLY 10 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ddb n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ddb n LEU 11 N 0.00 -0.00 0.00 0.99 0.00 -1.26 -4.76 117.00 111.97 1ddb n LEU 11 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.02 1ddb n LEU 11 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.40 1ddb n LEU 11 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 177.39 177.99 1ddb n GLY 12 N -2.12 4.16 0.00 -3.96 0.00 -1.26 -5.02 105.19 96.99 1ddb n GLY 12 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.52 0.00 -1.46 4.61 0.00 -1.26 -5.10 120.51 115.79 1ddb n ALA 13 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.87 1ddb n ALA 13 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.16 0.00 0.08 0.00 4.76 -1.26 -4.76 118.16 116.82 1ddb n LYS 14 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1ddb n LYS 14 Cb 0.00 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 31.66 1ddb n LYS 14 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ddb h HIS 15 N 2.90 -0.13 -0.48 2.13 3.86 -1.99 -0.43 115.15 121.01 1ddb h HIS 15 Ca -0.49 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.76 1ddb h HIS 15 Cb 1.39 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.86 1ddb h HIS 15 CO 0.55 -0.02 0.22 0.97 0.86 0.00 0.00 177.93 180.51 1ddb h ILE 16 N -0.20 0.92 0.21 2.45 6.09 -1.96 0.46 117.51 125.48 1ddb h ILE 16 Ca -0.01 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1ddb h ILE 16 Cb 0.16 0.45 -0.02 0.00 0.47 0.00 0.00 36.82 37.88 1ddb h ILE 16 CO 0.02 0.08 -0.29 0.74 -3.07 0.00 0.00 178.15 175.63 1ddb h THR 17 N 0.43 0.00 -1.04 2.19 2.02 -1.80 -0.63 112.91 114.09 1ddb h THR 17 Ca 0.22 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.66 1ddb h THR 17 Cb 0.16 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.48 1ddb h THR 17 CO -0.18 0.00 0.66 0.44 0.37 0.00 0.00 175.52 176.82 1ddb h ASP 18 N -0.52 0.46 -0.03 4.18 3.32 -0.89 1.71 116.42 124.66 1ddb h ASP 18 Ca -0.02 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1ddb h ASP 18 Cb 0.47 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ddb h ASP 18 CO -0.08 0.09 0.00 -0.07 -1.72 0.00 0.00 179.24 177.46 1ddb h LEU 19 N 0.41 0.08 -0.42 1.55 -0.00 0.30 -1.19 115.31 116.03 1ddb h LEU 19 Ca 0.60 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.43 1ddb h LEU 19 Cb 1.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 42.11 1ddb h LEU 19 CO -0.31 0.10 0.07 0.25 -0.00 0.00 0.00 178.44 178.55 1ddb h LEU 20 N 0.09 0.66 0.56 1.67 7.12 0.40 1.69 115.31 127.51 1ddb h LEU 20 Ca 0.02 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.75 1ddb h LEU 20 Cb 0.06 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1ddb h LEU 20 CO 0.00 0.75 -0.34 1.62 -0.13 0.00 0.00 178.44 180.34 1ddb h VAL 21 N 0.55 0.00 0.00 1.05 3.04 -0.96 1.39 116.25 121.32 1ddb h VAL 21 Ca 0.13 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.77 1ddb h VAL 21 Cb 0.37 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 1ddb h VAL 21 CO 0.01 0.00 -0.21 0.15 -1.01 0.00 0.00 177.57 176.51 1ddb h PHE 22 N -0.84 0.00 -0.19 3.17 3.04 -1.42 -2.42 116.94 118.27 1ddb h PHE 22 Ca -0.08 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.69 1ddb h PHE 22 Cb 0.67 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1ddb h PHE 22 CO -0.03 0.21 -0.64 0.78 -2.02 0.00 0.00 178.31 176.61 1ddb h GLY 23 N 0.68 0.77 0.58 2.40 0.00 0.29 -2.56 103.07 105.22 1ddb h GLY 23 Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1ddb h GLY 23 CO 0.03 0.87 -0.35 -2.75 0.00 0.00 0.00 176.54 174.33 1ddb h PHE 24 N 0.51 -0.95 -0.38 5.60 3.04 0.24 0.11 116.94 125.11 1ddb h PHE 24 Ca -0.01 0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.99 1ddb h PHE 24 Cb 1.23 0.38 -0.04 0.00 2.56 0.00 0.00 35.95 40.08 1ddb h PHE 24 CO 0.06 -0.49 0.15 1.25 -2.02 0.00 0.00 178.31 177.26 1ddb h LEU 25 N -0.70 0.18 -2.01 0.59 5.85 -1.60 0.37 115.31 117.99 1ddb h LEU 25 Ca -0.01 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1ddb h LEU 25 Cb 0.65 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ddb h LEU 25 CO -0.09 0.14 0.33 0.06 -0.34 0.00 0.00 178.44 178.54 1ddb h GLN 26 N 0.31 0.00 0.04 1.25 -0.00 -1.03 3.86 115.11 119.54 1ddb h GLN 26 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1ddb h GLN 26 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.59 1ddb h GLN 26 CO -0.16 0.00 -0.20 1.03 -0.00 0.00 0.00 178.83 179.50 1ddb h SER 27 N 0.00 -0.60 0.00 0.06 0.87 0.15 -3.36 113.55 110.67 1ddb h SER 27 Ca 0.21 0.06 -0.33 0.00 -1.23 0.00 0.00 61.79 60.51 1ddb h SER 27 Cb 0.88 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.00 1ddb h SER 27 CO -0.00 -0.21 -2.24 -1.20 -0.53 0.00 0.00 176.83 172.65 1ddb n SER 28 N -3.57 2.26 -0.92 6.23 7.64 -0.98 -4.92 113.62 119.36 1ddb n SER 28 Ca -0.03 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ddb n SER 28 Cb 0.15 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 29 N 2.40 -1.78 0.25 0.23 0.00 1.27 -5.03 105.19 102.54 1ddb n GLY 29 Ca -0.39 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.44 -0.29 0.16 0.00 2.01 -1.26 -5.03 115.64 107.79 1ddb s THR 31 Ca -0.09 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1ddb s THR 31 Cb 0.01 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1ddb s THR 31 CO 0.27 0.12 1.55 0.08 -0.69 0.00 0.00 174.62 175.95 1ddb h ARG 32 N 8.15 -0.15 -0.10 4.92 0.11 -2.00 1.80 114.38 127.11 1ddb h ARG 32 Ca -0.18 0.01 0.03 0.00 0.10 0.00 0.00 59.98 59.94 1ddb h ARG 32 Cb 1.12 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 1ddb h ARG 32 CO 0.18 -0.10 0.13 0.37 0.10 0.00 0.00 179.97 180.65 1ddb h GLN 33 N -0.16 0.00 0.31 0.08 4.15 -1.99 -2.40 115.11 115.11 1ddb h GLN 33 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1ddb h GLN 33 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1ddb h GLN 33 CO -0.80 0.00 -0.15 1.49 -1.93 0.00 0.00 178.83 177.44 1ddb h GLU 34 N 0.00 -0.40 -1.00 1.69 4.81 0.22 0.36 114.58 120.26 1ddb h GLU 34 Ca 0.05 0.03 0.34 0.00 -0.13 0.00 0.00 59.36 59.65 1ddb h GLU 34 Cb 0.32 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 29.64 1ddb h GLU 34 CO -0.00 -0.27 0.55 1.25 -0.73 0.00 0.00 179.01 179.82 1ddb h LEU 35 N -0.67 0.47 -0.17 1.64 6.46 -0.59 2.98 115.31 125.42 1ddb h LEU 35 Ca -0.04 0.20 -0.14 0.00 -0.12 0.00 0.00 57.88 57.78 1ddb h LEU 35 Cb 0.32 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1ddb h LEU 35 CO 0.07 -0.19 -0.43 -0.08 -0.62 0.00 0.00 178.44 177.19 1ddb h GLU 36 N 0.26 0.59 0.37 1.25 4.81 -1.42 1.75 114.58 122.19 1ddb h GLU 36 Ca 0.75 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1ddb h GLU 36 Cb 1.77 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.21 1ddb h GLU 36 CO -0.64 1.03 -0.18 0.28 -0.73 0.00 0.00 179.01 178.77 1ddb h VAL 37 N 0.25 0.40 -0.45 0.32 2.07 0.51 -2.25 116.25 117.11 1ddb h VAL 37 Ca -0.00 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1ddb h VAL 37 Cb 1.04 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1ddb h VAL 37 CO 0.09 0.09 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1ddb h LEU 38 N -0.99 0.80 -0.38 2.57 3.38 0.48 -3.13 115.31 118.03 1ddb h LEU 38 Ca -0.05 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.67 1ddb h LEU 38 Cb 0.52 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1ddb h LEU 38 CO 0.08 0.94 -0.35 1.23 0.09 0.00 0.00 178.44 180.43 1ddb h GLY 39 N 0.65 -0.33 0.00 0.83 0.00 0.27 -3.45 103.07 101.03 1ddb h GLY 39 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1ddb h GLY 39 CO 0.03 -0.20 0.00 0.54 0.00 0.00 0.00 176.54 176.91 1ddb n ARG 40 N -5.42 -0.87 -3.53 4.80 1.74 -0.85 -4.75 116.66 107.79 1ddb n ARG 40 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1ddb n ARG 40 Cb 0.34 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.64 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ddb s GLU 41 N -2.00 0.25 -0.44 5.56 4.04 -1.26 -4.27 118.70 120.58 1ddb s GLU 41 Ca 0.00 -0.67 -0.14 0.00 0.04 0.00 0.00 54.97 54.20 1ddb s GLU 41 Cb 0.00 -1.19 0.06 0.00 0.02 0.00 0.00 34.13 33.02 1ddb s GLU 41 CO 0.00 -1.05 0.33 -0.51 -1.84 0.00 0.00 175.26 172.18 1ddb s LEU 42 N 1.92 5.32 0.00 1.83 2.01 -1.26 -5.07 118.68 123.43 1ddb s LEU 42 Ca 0.11 -1.22 0.00 0.00 0.01 0.00 0.00 54.13 53.02 1ddb s LEU 42 Cb -0.17 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 43.90 1ddb s LEU 42 CO -0.30 -0.55 0.00 -0.81 1.01 0.00 0.00 176.35 175.69 1ddb n PRO 43 N 5.12 0.41 0.00 1.29 -0.04 -1.26 -4.98 135.00 135.53 1ddb n PRO 43 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ddb n PRO 43 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1ddb n PRO 43 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ddb n VAL 44 N -1.04 0.00 -0.81 0.52 0.31 -1.26 -4.95 118.33 111.10 1ddb n VAL 44 Ca 0.00 0.74 0.10 0.00 -0.01 0.00 0.00 64.34 65.18 1ddb n VAL 44 Cb 0.00 -1.38 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.42 -1.74 -2.75 5.55 6.02 -1.26 -4.93 117.38 117.85 1ddb n GLN 45 Ca 0.00 1.29 -0.07 0.00 -0.01 0.00 0.00 57.00 58.21 1ddb n GLN 45 Cb 0.00 -2.09 0.04 0.00 1.02 0.00 0.00 30.24 29.22 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb n ALA 46 N -2.82 -1.59 -0.26 -1.58 0.00 -1.26 -5.04 120.51 107.96 1ddb n ALA 46 Ca -0.02 -1.29 -0.07 0.00 0.00 0.00 0.00 53.44 52.07 1ddb n ALA 46 Cb 0.38 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 1.88 -0.27 0.00 0.00 9.36 -1.26 -4.82 117.16 122.05 1ddb n TYR 47 Ca 0.10 0.77 0.00 0.00 3.32 0.00 0.00 57.90 62.10 1ddb n TYR 47 Cb 0.62 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 -4.62 0.00 -3.15 2.98 -0.00 -1.26 -5.08 117.44 106.31 1ddb n TRP 48 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.51 1ddb n TRP 48 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1ddb n GLU 49 N 0.00 -0.63 0.00 5.87 0.28 -1.26 -4.76 120.64 120.13 1ddb n GLU 49 Ca 0.00 0.95 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 1ddb n GLU 49 Cb 0.00 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 31.81 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ddb n ALA 50 N 1.61 0.00 -1.50 -1.84 0.00 -1.26 -5.13 120.51 112.39 1ddb n ALA 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 50 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1ddb n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ddb n ASP 51 N 0.00 -6.76 -3.26 0.00 -0.08 -1.26 -4.76 116.55 100.43 1ddb n ASP 51 Ca 0.00 0.92 -0.43 0.00 -1.51 0.00 0.00 54.79 53.77 1ddb n ASP 51 Cb 0.00 -3.63 -0.06 0.00 2.34 0.00 0.00 41.12 39.77 1ddb n ASP 51 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ddb n LEU 52 N 1.09 0.13 -4.85 -2.67 4.77 -1.26 -4.87 117.00 109.34 1ddb n LEU 52 Ca 0.00 0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 56.48 1ddb n LEU 52 Cb 0.00 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 1ddb n LEU 52 CO 0.00 -1.26 0.28 -0.70 -1.33 0.00 0.00 177.39 174.38 1ddb s GLU 53 N 0.33 3.98 -0.46 3.23 -6.30 -1.26 -5.05 118.70 113.16 1ddb s GLU 53 Ca 0.67 0.51 -0.08 0.00 -2.50 0.00 0.00 54.97 53.57 1ddb s GLU 53 Cb -0.94 -2.79 0.12 0.00 0.00 0.00 0.00 34.13 30.52 1ddb s GLU 53 CO 0.44 0.39 0.32 0.16 0.02 0.00 0.00 175.26 176.58 1ddb s ASP 54 N -1.94 5.60 1.18 -1.70 1.47 -1.26 -5.08 116.67 114.95 1ddb s ASP 54 Ca 0.43 -1.96 -0.17 0.00 1.18 0.00 0.00 52.55 52.03 1ddb s ASP 54 Cb -0.14 -1.97 0.21 0.00 -0.34 0.00 0.00 42.92 40.69 1ddb s ASP 54 CO 0.20 -0.66 0.46 1.21 0.68 0.00 0.00 175.17 177.06 1ddb n GLU 55 N 4.82 -2.46 -0.44 2.11 2.13 -1.26 -4.94 120.64 120.59 1ddb n GLU 55 Ca -0.06 -0.71 -0.27 0.00 0.66 0.00 0.00 57.16 56.78 1ddb n GLU 55 Cb 0.41 -1.84 0.22 0.00 0.27 0.00 0.00 31.44 30.50 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ddb n LEU 56 N -3.21 -1.30 -1.80 4.31 7.94 -1.26 -4.73 117.00 116.94 1ddb n LEU 56 Ca 0.03 -0.47 -0.01 0.00 -1.11 0.00 0.00 56.01 54.46 1ddb n LEU 56 Cb 0.56 -0.97 -0.00 0.00 0.53 0.00 0.00 43.42 43.54 1ddb n LEU 56 CO 0.49 -3.70 -0.15 1.67 -1.11 0.00 0.00 177.39 174.59 1ddb n GLN 57 N -3.77 -1.01 -2.76 1.96 -0.06 -1.26 -5.04 117.38 105.44 1ddb n GLN 57 Ca 0.07 1.16 -0.29 0.00 -2.00 0.00 0.00 57.00 55.93 1ddb n GLN 57 Cb 0.52 -2.10 -0.02 0.00 -4.06 0.00 0.00 30.24 24.58 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1ddb s THR 58 N -0.33 4.83 0.04 1.69 -1.32 -1.26 -5.01 115.64 114.28 1ddb s THR 58 Ca -0.03 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1ddb s THR 58 Cb 0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 1ddb s THR 58 CO 0.20 -0.65 0.00 -0.67 -2.21 0.00 0.00 174.62 171.29 1ddb n ASP 59 N -1.67 0.27 0.00 8.08 2.03 -1.26 -5.12 116.55 118.88 1ddb n ASP 59 Ca 0.02 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1ddb n ASP 59 Cb 0.54 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddb n GLY 60 N 2.89 2.71 3.48 0.27 0.00 -1.26 -5.19 105.19 108.09 1ddb n GLY 60 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 61 N 0.00 -0.61 0.41 1.61 1.04 -1.26 -5.08 113.70 109.80 1ddb s SER 61 Ca 0.00 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1ddb s SER 61 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1ddb s SER 61 CO 0.00 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 173.49 1ddb n GLN 62 N 0.41 0.00 -1.29 4.02 1.13 -1.26 -5.17 117.38 115.23 1ddb n GLN 62 Ca -0.18 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.03 1ddb n GLN 62 Cb 0.60 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.89 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 63 N -3.50 -3.45 0.00 -1.58 0.00 -1.26 -5.05 120.51 105.67 1ddb n ALA 63 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ddb n ALA 63 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ddb n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 64 N -4.24 0.00 -3.99 0.00 2.88 -1.26 -5.19 113.62 101.82 1ddb n SER 64 Ca -0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 1ddb n SER 64 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1ddb n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ddb s ARG 65 N -0.65 1.38 0.00 -1.46 0.52 -1.26 -5.17 118.95 112.31 1ddb s ARG 65 Ca 0.00 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1ddb s ARG 65 Cb 0.00 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.89 1ddb s ARG 65 CO 0.00 -0.54 0.00 0.43 0.02 0.00 0.00 175.30 175.21 1ddb n SER 66 N -0.32 0.00 -3.60 0.23 7.64 -1.26 -5.19 113.62 111.13 1ddb n SER 66 Ca -0.04 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 1ddb n SER 66 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1ddb n SER 66 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ddb s PHE 67 N -1.78 -0.20 0.00 1.43 -0.71 -1.26 -5.18 117.98 110.27 1ddb s PHE 67 Ca 0.00 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 1ddb s PHE 67 Cb 0.00 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 1ddb s PHE 67 CO 0.00 -0.49 0.00 0.27 -1.34 0.00 0.00 175.22 173.66 1ddb n ASN 68 N -0.29 0.00 -5.00 1.98 6.94 -1.26 -5.18 115.26 112.46 1ddb n ASN 68 Ca -0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.32 1ddb n ASN 68 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1ddb n ASN 68 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1ddb s GLN 69 N -2.00 2.97 -0.05 -3.83 -0.44 -1.26 -4.82 119.66 110.24 1ddb s GLN 69 Ca 0.00 -1.06 -0.01 0.00 -2.50 0.00 0.00 55.36 51.79 1ddb s GLN 69 Cb 0.00 -2.77 0.00 0.00 -1.64 0.00 0.00 33.01 28.61 1ddb s GLN 69 CO 0.00 -0.12 0.03 0.41 0.50 0.00 0.00 175.29 176.10 1ddb n GLY 70 N -1.78 -0.97 3.47 2.59 0.00 -1.26 -4.80 105.19 102.44 1ddb n GLY 70 Ca 0.04 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1ddb n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ddb s ARG 71 N -0.65 3.58 0.47 1.61 6.06 -1.26 -5.01 118.95 123.76 1ddb s ARG 71 Ca -0.03 -1.63 -0.22 0.00 -2.50 0.00 0.00 55.73 51.35 1ddb s ARG 71 Cb 0.00 -4.97 -0.08 0.00 0.06 0.00 0.00 34.95 29.97 1ddb s ARG 71 CO 0.16 -1.84 1.10 0.42 -2.50 0.00 0.00 175.30 172.64 1ddb s ILE 72 N 3.09 3.41 -0.55 4.11 1.09 -1.26 -5.01 121.20 126.08 1ddb s ILE 72 Ca 0.35 0.98 0.04 0.00 -1.10 0.00 0.00 60.65 60.92 1ddb s ILE 72 Cb -0.04 -3.46 0.16 0.00 -1.06 0.00 0.00 42.46 38.06 1ddb s ILE 72 CO -0.09 -0.09 0.40 -0.70 -0.10 0.00 0.00 174.94 174.36 1ddb s GLU 73 N -2.90 1.67 -1.11 2.79 2.12 -1.26 -5.01 118.70 115.00 1ddb s GLU 73 Ca 0.65 -2.66 -0.17 0.00 0.36 0.00 0.00 54.97 53.15 1ddb s GLU 73 Cb -0.23 -2.47 -0.07 0.00 0.26 0.00 0.00 34.13 31.62 1ddb s GLU 73 CO 0.28 -1.31 2.12 -0.35 -0.54 0.00 0.00 175.26 175.46 1ddb n PRO 74 N 2.55 2.21 -1.68 4.30 -0.04 -1.26 -4.92 135.00 136.17 1ddb n PRO 74 Ca 0.22 -2.14 -0.42 0.00 -0.04 0.00 0.00 63.50 61.12 1ddb n PRO 74 Cb 0.40 -3.03 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 1ddb n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ddb s ASP 75 N 4.00 6.38 0.21 3.54 -4.77 -1.26 -4.39 116.67 120.38 1ddb s ASP 75 Ca 0.53 2.61 0.00 0.00 -3.30 0.00 0.00 52.55 52.38 1ddb s ASP 75 Cb 0.14 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.44 1ddb s ASP 75 CO 0.01 -1.12 0.00 -1.54 0.70 0.00 0.00 175.17 173.23 1ddb n SER 76 N 7.83 -1.85 0.00 2.11 3.41 -1.26 -5.03 113.62 118.82 1ddb n SER 76 Ca 0.21 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1ddb n SER 76 Cb 0.41 2.00 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 1ddb n SER 76 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ddb n GLU 77 N -3.20 0.00 -2.25 4.33 0.28 -1.26 -5.08 120.64 113.46 1ddb n GLU 77 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1ddb n GLU 77 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ddb n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ddb n SER 78 N -1.10 -5.02 0.00 -1.84 2.88 -1.26 -4.99 113.62 102.29 1ddb n SER 78 Ca 0.00 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1ddb n SER 78 Cb 0.00 -3.24 0.00 0.00 -0.75 0.00 0.00 64.21 60.22 1ddb n SER 78 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ddb n GLN 79 N -0.92 0.00 0.16 -1.46 7.27 -1.26 -4.91 117.38 116.25 1ddb n GLN 79 Ca 0.03 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.23 1ddb n GLN 79 Cb 0.37 0.00 0.51 0.00 2.41 0.00 0.00 30.24 33.53 1ddb n GLN 79 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1ddb h GLU 80 N 0.00 0.00 -4.06 3.69 4.81 -2.03 -3.48 114.58 113.50 1ddb h GLU 80 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddb h GLU 80 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ddb h GLU 80 CO 0.00 0.00 -0.90 0.39 -0.73 0.00 0.00 179.01 177.77 1ddb n GLU 81 N -2.42 -5.17 0.04 1.92 4.71 -1.26 -4.60 120.64 113.85 1ddb n GLU 81 Ca 0.02 3.70 -0.22 0.00 -0.01 0.00 0.00 57.16 60.66 1ddb n GLU 81 Cb 0.28 -3.97 -0.14 0.00 -1.01 0.00 0.00 31.44 26.59 1ddb n GLU 81 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1ddb h ILE 82 N 3.77 0.99 -0.33 -3.67 2.04 -1.97 -3.01 117.51 115.32 1ddb h ILE 82 Ca 0.00 -2.45 0.07 0.00 1.00 0.00 0.00 64.86 63.47 1ddb h ILE 82 Cb 0.00 2.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1ddb h ILE 82 CO 0.00 0.78 -0.08 0.16 0.00 0.00 0.00 178.15 179.01 1ddb h ILE 83 N -0.11 0.67 -0.85 -0.67 3.07 -1.99 0.14 117.51 117.77 1ddb h ILE 83 Ca -0.32 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.06 1ddb h ILE 83 Cb 1.92 0.67 -0.04 0.00 -0.27 0.00 0.00 36.82 39.10 1ddb h ILE 83 CO 0.12 0.00 0.44 0.45 -1.05 0.00 0.00 178.15 178.11 1ddb h HIS 84 N -0.00 1.20 -0.20 0.16 3.86 -1.88 -1.67 115.15 116.62 1ddb h HIS 84 Ca 0.16 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 1ddb h HIS 84 Cb 0.24 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1ddb h HIS 84 CO -0.31 0.85 -0.08 -0.97 0.86 0.00 0.00 177.93 178.28 1ddb h ASN 85 N 1.20 -0.28 -0.44 2.45 -1.24 -0.94 0.67 115.58 117.00 1ddb h ASN 85 Ca 0.30 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.42 1ddb h ASN 85 Cb 0.07 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 1ddb h ASN 85 CO -0.04 -0.11 0.29 -0.29 -1.29 0.00 0.00 177.43 175.99 1ddb h ILE 86 N -0.06 1.03 0.07 2.57 6.09 -0.37 0.97 117.51 127.81 1ddb h ILE 86 Ca 0.10 -0.16 0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1ddb h ILE 86 Cb 0.21 0.52 -0.03 0.00 0.47 0.00 0.00 36.82 38.00 1ddb h ILE 86 CO -0.23 0.08 -0.18 0.00 -3.07 0.00 0.00 178.15 174.75 1ddb h ALA 87 N 1.75 -0.27 0.15 0.18 0.00 0.04 0.10 119.26 121.20 1ddb h ALA 87 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ddb h ALA 87 Cb 0.14 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ddb h ALA 87 CO -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 179.25 178.44 1ddb h ARG 88 N -0.33 -0.19 0.00 0.00 3.08 -0.53 -2.26 114.38 114.16 1ddb h ARG 88 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ddb h ARG 88 Cb 0.36 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ddb h ARG 88 CO -0.12 0.11 0.47 1.25 -1.07 0.00 0.00 179.97 180.61 1ddb h HIS 89 N -0.48 0.00 0.34 3.04 2.76 -0.66 -1.12 115.15 119.02 1ddb h HIS 89 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ddb h HIS 89 Cb 0.38 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1ddb h HIS 89 CO 0.02 0.00 -0.27 1.25 -1.30 0.00 0.00 177.93 177.63 1ddb h LEU 90 N 0.00 -0.72 -0.18 0.26 5.85 -0.35 0.58 115.31 120.74 1ddb h LEU 90 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ddb h LEU 90 Cb 0.95 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1ddb h LEU 90 CO 0.00 -0.38 0.03 0.00 -0.34 0.00 0.00 178.44 177.75 1ddb h ALA 91 N -1.38 0.18 -0.70 1.25 0.00 -1.33 -0.05 119.26 117.22 1ddb h ALA 91 Ca -0.04 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1ddb h ALA 91 Cb 0.49 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 1ddb h ALA 91 CO 0.00 -0.40 0.07 0.37 0.00 0.00 0.00 179.25 179.28 1ddb h GLN 92 N 0.11 0.16 0.00 0.00 -0.00 -1.33 1.29 115.11 115.33 1ddb h GLN 92 Ca 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 1ddb h GLN 92 Cb 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.52 1ddb h GLN 92 CO -0.11 0.11 -0.13 -0.84 0.00 0.00 0.00 178.83 177.85 1ddb h ILE 93 N 0.16 0.37 0.41 2.39 3.07 0.89 -2.74 117.51 122.06 1ddb h ILE 93 Ca 0.38 -0.75 -0.01 0.00 1.55 0.00 0.00 64.86 66.02 1ddb h ILE 93 Cb 0.66 1.55 -0.00 0.00 -0.27 0.00 0.00 36.82 38.76 1ddb h ILE 93 CO -0.56 0.12 -0.24 1.23 -1.05 0.00 0.00 178.15 177.65 1ddb h GLY 94 N 1.66 -0.65 0.97 0.16 0.00 0.35 1.76 103.07 107.33 1ddb h GLY 94 Ca -0.00 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1ddb h GLY 94 CO 0.02 -0.24 0.14 -1.80 0.00 0.00 0.00 176.54 174.65 1ddb h ASP 95 N -0.62 0.72 -0.71 0.19 3.58 -1.34 -2.62 116.42 115.62 1ddb h ASP 95 Ca -0.05 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 1ddb h ASP 95 Cb 0.50 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1ddb h ASP 95 CO 0.05 0.75 0.25 -0.08 -2.88 0.00 0.00 179.24 177.33 1ddb h GLU 96 N 0.66 1.09 -0.87 0.28 4.22 -1.26 -2.61 114.58 116.09 1ddb h GLU 96 Ca 0.16 -0.21 0.16 0.00 0.08 0.00 0.00 59.36 59.54 1ddb h GLU 96 Cb 0.30 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 1ddb h GLU 96 CO -0.00 0.92 0.46 0.00 -2.18 0.00 0.00 179.01 178.20 1ddb h MET 97 N 1.06 0.61 -0.05 1.92 -0.00 0.31 0.68 114.93 119.45 1ddb h MET 97 Ca 0.24 -0.04 0.01 0.00 -0.00 0.00 0.00 59.70 59.91 1ddb h MET 97 Cb 0.26 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 31.72 1ddb h MET 97 CO -0.01 0.40 0.39 0.38 -0.00 0.00 0.00 176.91 178.07 1ddb h ASP 98 N 0.63 0.00 0.30 -0.10 2.03 -1.28 0.50 116.42 118.50 1ddb h ASP 98 Ca 0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.77 1ddb h ASP 98 Cb 0.71 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1ddb h ASP 98 CO -0.37 0.00 -0.19 -0.74 -1.03 0.00 0.00 179.24 176.90 1ddb h HIS 99 N 0.00 -0.50 -1.99 4.15 2.76 0.27 -3.39 115.15 116.45 1ddb h HIS 99 Ca 0.02 -0.01 -0.40 0.00 -2.20 0.00 0.00 60.37 57.79 1ddb h HIS 99 Cb 0.80 0.18 -0.31 0.00 1.55 0.00 0.00 27.41 29.63 1ddb h HIS 99 CO 0.00 -0.30 -0.73 0.54 -1.30 0.00 0.00 177.93 176.14 1ddb s ASN 100 N -4.78 1.15 -0.31 3.26 4.22 0.13 -5.07 114.94 113.54 1ddb s ASN 100 Ca -0.15 -1.88 -0.03 0.00 -2.14 0.00 0.00 52.86 48.66 1ddb s ASN 100 Cb 0.05 0.44 0.11 0.00 1.28 0.00 0.00 41.25 43.14 1ddb s ASN 100 CO 0.64 -0.23 0.15 -0.63 -2.04 0.00 0.00 177.10 174.99 1ddb s ILE 101 N 1.14 0.01 0.00 0.54 -1.09 -1.01 -4.91 121.20 115.89 1ddb s ILE 101 Ca 0.20 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1ddb s ILE 101 Cb -0.12 -1.03 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 1ddb s ILE 101 CO -0.05 -0.80 0.00 0.00 -1.23 0.00 0.00 174.94 172.87 1ddb n GLN 102 N 4.92 0.00 0.21 2.79 6.02 -1.26 -4.50 117.38 125.56 1ddb n GLN 102 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.08 1ddb n GLN 102 Cb 0.41 0.00 0.34 0.00 1.02 0.00 0.00 30.24 32.01 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ddb h PRO 103 N 0.00 0.00 0.00 -1.09 0.13 -2.00 -3.35 132.00 125.68 1ddb h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ddb h PRO 103 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ddb h PRO 103 CO 0.00 0.19 0.00 0.25 -0.23 0.00 0.00 178.00 178.21 1ddb n THR 104 N -3.23 0.00 0.00 1.56 -2.24 -1.26 -5.00 114.28 104.10 1ddb n THR 104 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ddb n THR 104 Cb 0.49 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ddb n LEU 105 N 0.00 0.00 0.00 3.22 4.32 -1.26 -4.99 117.00 118.29 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ddb n LEU 105 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1ddb n LEU 105 CO 0.00 0.00 0.10 1.33 -1.22 0.00 0.00 177.39 177.60 1ddb n VAL 106 N 0.00 0.00 0.14 4.08 0.24 -1.26 -1.19 118.33 120.34 1ddb n VAL 106 Ca 0.00 0.71 0.06 0.00 -2.04 0.00 0.00 64.34 63.07 1ddb n VAL 106 Cb 0.00 -1.58 0.34 0.00 -1.47 0.00 0.00 33.84 31.13 1ddb n VAL 106 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ddb n ARG 107 N -0.26 0.09 0.33 7.34 0.63 -1.26 -1.37 116.66 122.15 1ddb n ARG 107 Ca 0.00 0.55 -0.15 0.00 -0.92 0.00 0.00 57.85 57.32 1ddb n ARG 107 Cb 0.00 -2.02 -0.08 0.00 0.45 0.00 0.00 32.46 30.82 1ddb n ARG 107 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1ddb h GLN 108 N 0.00 -0.84 0.32 -0.14 1.08 -1.79 0.18 115.11 113.92 1ddb h GLN 108 Ca 0.00 0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1ddb h GLN 108 Cb 0.47 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1ddb h GLN 108 CO 0.00 -0.52 -0.15 1.37 -0.95 0.00 0.00 178.83 178.58 1ddb h LEU 109 N -1.12 -0.37 -2.11 1.46 8.10 0.11 -2.21 115.31 119.18 1ddb h LEU 109 Ca -0.09 -0.16 0.01 0.00 0.11 0.00 0.00 57.88 57.75 1ddb h LEU 109 Cb 0.70 0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1ddb h LEU 109 CO 0.15 -0.00 0.30 0.00 -4.11 0.00 0.00 178.44 174.77 1ddb h ALA 110 N -0.25 1.36 0.03 0.17 0.00 -1.54 0.51 119.26 119.54 1ddb h ALA 110 Ca -0.04 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1ddb h ALA 110 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ddb h ALA 110 CO 0.07 -0.32 -0.97 0.00 0.00 0.00 0.00 179.25 178.04 1ddb h ALA 111 N 1.43 0.08 -0.41 0.00 0.00 -0.10 -2.61 119.26 117.64 1ddb h ALA 111 Ca 0.01 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.30 1ddb h ALA 111 Cb 0.62 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1ddb h ALA 111 CO -0.00 0.59 -0.51 -0.56 0.00 0.00 0.00 179.25 178.77 1ddb h GLN 112 N 0.22 -0.36 -0.81 0.00 -0.00 0.61 -0.20 115.11 114.56 1ddb h GLN 112 Ca -0.13 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1ddb h GLN 112 Cb 1.65 0.08 -0.04 0.00 -0.00 0.00 0.00 27.48 29.17 1ddb h GLN 112 CO 0.19 -0.24 0.33 0.27 -0.00 0.00 0.00 178.83 179.38 1ddb h PHE 113 N -0.37 1.22 -0.52 0.06 -5.15 -1.65 -2.21 116.94 108.33 1ddb h PHE 113 Ca 0.10 -0.09 0.15 0.00 -0.20 0.00 0.00 57.97 57.93 1ddb h PHE 113 Cb 0.60 -0.37 -0.02 0.00 0.22 0.00 0.00 35.95 36.38 1ddb h PHE 113 CO -0.69 0.92 0.84 1.98 -2.00 0.00 0.00 178.31 179.35 1ddb h MET 114 N 1.17 0.00 -2.56 6.09 4.05 -0.63 -2.66 114.93 120.39 1ddb h MET 114 Ca 0.27 0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 59.10 1ddb h MET 114 Cb 0.21 0.00 -0.39 0.00 -0.80 0.00 0.00 31.60 30.62 1ddb h MET 114 CO -0.02 0.00 -0.88 -0.80 0.23 0.00 0.00 176.91 175.44 1ddb s ASN 115 N -4.01 2.38 0.00 1.39 0.01 -0.83 -5.05 114.94 108.83 1ddb s ASN 115 Ca -0.03 -2.89 0.00 0.00 -0.71 0.00 0.00 52.86 49.23 1ddb s ASN 115 Cb 0.11 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.16 1ddb s ASN 115 CO 0.38 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 1ddb n GLY 116 N 3.11 0.04 1.57 0.66 0.00 -1.00 -4.90 105.19 104.67 1ddb n GLY 116 Ca 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.26 0.00 0.00 1.61 2.88 -1.26 -3.82 113.62 112.77 1ddb n SER 117 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 117 Cb 0.00 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ddb n LEU 118 N -2.18 0.00 -3.15 2.46 -0.00 -1.26 -4.98 117.00 107.89 1ddb n LEU 118 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1ddb n LEU 118 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1ddb n LEU 118 CO 0.00 0.00 0.14 -0.44 -0.00 0.00 0.00 177.39 177.09 1ddb s SER 119 N -1.11 -1.39 0.00 1.96 0.01 -1.26 -4.84 113.70 107.07 1ddb s SER 119 Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1ddb s SER 119 Cb 0.00 1.78 0.00 0.00 0.21 0.00 0.00 66.02 68.01 1ddb s SER 119 CO 0.00 -0.15 0.00 1.21 0.41 0.00 0.00 173.24 174.71 1ddb n GLU 120 N 4.33 0.00 0.00 12.44 2.13 -1.26 -4.87 120.64 133.41 1ddb n GLU 120 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1ddb n GLU 120 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddb n GLU 121 N 0.00 0.00 -2.17 5.31 4.71 -1.26 -4.99 120.64 122.23 1ddb n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ddb n GLU 121 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1ddb n ASP 122 N 0.00 -6.36 -1.73 1.62 5.75 -1.26 -4.46 116.55 110.10 1ddb n ASP 122 Ca 0.00 1.53 0.00 0.00 -0.01 0.00 0.00 54.79 56.31 1ddb n ASP 122 Cb 0.00 -4.00 0.00 0.00 -1.03 0.00 0.00 41.12 36.09 1ddb n ASP 122 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ddb n LYS 123 N 1.89 2.86 0.00 0.11 2.85 -1.26 -4.67 118.16 119.94 1ddb n LYS 123 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 1ddb n LYS 123 Cb 0.00 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.49 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1ddb n ARG 124 N 0.00 0.06 -0.16 -1.58 -4.01 -1.26 -1.63 116.66 108.07 1ddb n ARG 124 Ca 0.00 0.26 -0.11 0.00 -1.04 0.00 0.00 57.85 56.97 1ddb n ARG 124 Cb 0.00 -1.50 -0.00 0.00 -3.04 0.00 0.00 32.46 27.92 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 1ddb h ASN 125 N 0.00 0.92 0.10 2.89 -1.24 -1.97 -1.86 115.58 114.41 1ddb h ASN 125 Ca 0.00 -0.36 0.02 0.00 0.71 0.00 0.00 56.30 56.67 1ddb h ASN 125 Cb 0.05 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.80 1ddb h ASN 125 CO 0.00 1.07 -0.33 0.00 -1.29 0.00 0.00 177.43 176.87 1ddb n LEU 127 N -5.42 0.00 -0.12 0.00 -0.00 -1.16 -1.03 117.00 109.26 1ddb n LEU 127 Ca -0.06 0.87 0.27 0.00 -0.00 0.00 0.00 56.01 57.09 1ddb n LEU 127 Cb 0.33 -0.37 0.67 0.00 -0.00 0.00 0.00 43.42 44.05 1ddb n LEU 127 CO 0.22 -0.37 1.25 0.00 -0.00 0.00 0.00 177.39 178.48 1ddb h ALA 128 N -1.73 2.65 -0.18 1.47 0.00 -1.27 1.75 119.26 121.95 1ddb h ALA 128 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ddb h ALA 128 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ddb h ALA 128 CO 0.00 -1.21 0.12 0.87 0.00 0.00 0.00 179.25 179.03 1ddb h LYS 129 N 0.00 0.21 -0.07 0.00 1.57 0.45 -1.73 116.57 116.99 1ddb h LYS 129 Ca 0.39 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1ddb h LYS 129 Cb 1.96 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1ddb h LYS 129 CO -0.00 0.14 -0.22 0.00 -0.57 0.00 0.00 179.45 178.80 1ddb h ALA 130 N 1.89 0.12 -0.99 3.86 0.00 0.33 -2.72 119.26 121.75 1ddb h ALA 130 Ca 0.07 -0.39 0.27 0.00 0.00 0.00 0.00 54.91 54.86 1ddb h ALA 130 Cb 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 1ddb h ALA 130 CO -0.01 0.09 0.01 1.25 0.00 0.00 0.00 179.25 180.59 1ddb h LEU 131 N -0.22 -0.51 0.09 0.00 6.46 -1.23 1.29 115.31 121.19 1ddb h LEU 131 Ca -0.01 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1ddb h LEU 131 Cb 0.84 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1ddb h LEU 131 CO 0.05 -0.36 -0.04 -0.78 -0.62 0.00 0.00 178.44 176.69 1ddb h ASP 132 N 0.01 -0.10 0.28 1.25 1.82 -1.50 0.38 116.42 118.55 1ddb h ASP 132 Ca 0.59 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1ddb h ASP 132 Cb 1.21 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 1ddb h ASP 132 CO -0.93 0.24 -0.37 -0.33 -1.61 0.00 0.00 179.24 176.24 1ddb h GLU 133 N -0.46 -0.64 -0.93 0.28 4.39 0.77 0.40 114.58 118.39 1ddb h GLU 133 Ca -0.01 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1ddb h GLU 133 Cb 0.38 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1ddb h GLU 133 CO 0.02 -0.43 0.60 -0.24 -1.16 0.00 0.00 179.01 177.80 1ddb h VAL 134 N -0.67 0.96 0.00 3.13 3.04 0.12 1.04 116.25 123.87 1ddb h VAL 134 Ca -0.03 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ddb h VAL 134 Cb 0.60 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1ddb h VAL 134 CO -0.09 0.17 0.00 1.17 -1.01 0.00 0.00 177.57 177.81 1ddb n LYS 135 N -4.55 0.93 -0.00 4.17 4.81 0.13 -0.18 118.16 123.47 1ddb n LYS 135 Ca 0.16 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.62 1ddb n LYS 135 Cb 0.32 -1.06 -0.03 0.00 0.02 0.00 0.00 35.03 34.28 1ddb n LYS 135 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ddb n THR 136 N -0.56 0.00 -0.07 3.15 5.66 0.34 -4.28 114.28 118.52 1ddb n THR 136 Ca 0.03 -0.13 -0.15 0.00 -3.05 0.00 0.00 64.05 60.74 1ddb n THR 136 Cb 0.01 0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 69.24 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n ALA 137 N -1.56 2.04 -2.72 1.79 0.00 -0.31 -4.76 120.51 114.99 1ddb n ALA 137 Ca -0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 1ddb n ALA 137 Cb 0.09 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.68 3.73 -1.56 0.00 -1.74 0.75 -5.05 117.46 109.92 1ddb n PHE 138 Ca -0.28 -3.55 -0.30 0.00 -0.56 0.00 0.00 57.45 52.76 1ddb n PHE 138 Cb 0.68 -0.39 0.08 0.00 1.52 0.00 0.00 39.48 41.37 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.56 2.26 0.00 3.97 0.04 -1.20 -4.09 135.00 132.42 1ddb s PRO 139 Ca 0.48 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1ddb s PRO 139 Cb 0.33 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1ddb s PRO 139 CO -0.17 -1.51 0.00 0.54 0.04 0.00 0.00 177.00 175.90 1ddb n ARG 140 N -3.37 -1.78 0.00 4.56 5.12 -1.26 -4.42 116.66 115.51 1ddb n ARG 140 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1ddb n ARG 140 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ddb n ASP 141 N 3.00 0.00 0.11 0.55 8.00 -1.26 -3.49 116.55 123.45 1ddb n ASP 141 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddb n ASP 141 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.38 1ddb n ASP 141 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ddb h MET 142 N 0.00 0.22 0.61 -1.24 2.86 -1.98 0.63 114.93 116.03 1ddb h MET 142 Ca 0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1ddb h MET 142 Cb 0.00 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ddb h MET 142 CO 0.00 0.53 -0.29 0.93 1.06 0.00 0.00 176.91 179.13 1ddb h GLU 143 N 0.19 -0.78 0.33 1.72 4.39 -1.94 -1.80 114.58 116.68 1ddb h GLU 143 Ca 0.03 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1ddb h GLU 143 Cb 0.67 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ddb h GLU 143 CO 0.05 -0.52 -0.16 -0.97 -1.16 0.00 0.00 179.01 176.25 1ddb h ASN 144 N -1.04 -0.37 -0.93 1.42 -1.24 -1.70 -0.67 115.58 111.04 1ddb h ASN 144 Ca -0.08 -0.16 0.14 0.00 0.71 0.00 0.00 56.30 56.91 1ddb h ASN 144 Cb 0.62 0.10 -0.15 0.00 0.73 0.00 0.00 38.32 39.62 1ddb h ASN 144 CO 0.14 -0.02 -0.37 0.47 -1.29 0.00 0.00 177.43 176.36 1ddb n ASP 145 N -5.15 -0.61 0.01 1.15 9.92 0.22 0.31 116.55 122.40 1ddb n ASP 145 Ca -0.10 1.63 -0.01 0.00 -0.53 0.00 0.00 54.79 55.78 1ddb n ASP 145 Cb 0.26 -0.37 0.28 0.00 -0.64 0.00 0.00 41.12 40.66 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ddb h LYS 146 N 0.00 0.49 0.84 -1.24 3.64 -1.27 -2.37 116.57 116.66 1ddb h LYS 146 Ca 0.32 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1ddb h LYS 146 Cb 0.55 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1ddb h LYS 146 CO -0.92 0.57 -0.40 0.00 -2.27 0.00 0.00 179.45 176.43 1ddb h ALA 147 N 1.47 -1.13 -0.44 5.00 0.00 0.66 0.94 119.26 125.76 1ddb h ALA 147 Ca 0.09 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ddb h ALA 147 Cb 0.41 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1ddb h ALA 147 CO 0.02 -1.13 -0.27 0.52 0.00 0.00 0.00 179.25 178.39 1ddb h MET 148 N -1.13 -0.17 -0.75 0.00 2.86 0.56 0.12 114.93 116.41 1ddb h MET 148 Ca -0.12 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1ddb h MET 148 Cb 0.86 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.49 1ddb h MET 148 CO 0.19 -0.12 0.40 1.25 1.06 0.00 0.00 176.91 179.69 1ddb h LEU 149 N -0.18 0.56 -1.90 1.22 7.12 -1.32 0.25 115.31 121.07 1ddb h LEU 149 Ca 0.20 0.05 0.32 0.00 0.13 0.00 0.00 57.88 58.58 1ddb h LEU 149 Cb 0.50 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.53 1ddb h LEU 149 CO -0.54 0.32 0.79 -0.29 -0.13 0.00 0.00 178.44 178.59 1ddb h ILE 150 N 0.69 0.45 0.50 4.05 2.10 0.18 0.43 117.51 125.91 1ddb h ILE 150 Ca 0.36 -0.02 -0.02 0.00 1.08 0.00 0.00 64.86 66.26 1ddb h ILE 150 Cb 0.34 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1ddb h ILE 150 CO -0.25 0.01 -0.24 0.24 -1.08 0.00 0.00 178.15 176.83 1ddb h MET 151 N 0.06 -0.64 -0.91 2.19 2.86 -0.04 -1.48 114.93 116.96 1ddb h MET 151 Ca 0.54 0.04 0.17 0.00 -2.06 0.00 0.00 59.70 58.40 1ddb h MET 151 Cb 2.04 0.15 -0.17 0.00 0.06 0.00 0.00 31.60 33.68 1ddb h MET 151 CO -0.05 -0.34 -0.29 1.79 1.06 0.00 0.00 176.91 179.08 1ddb h THR 152 N -0.92 0.06 0.00 2.22 1.35 -0.86 2.00 112.91 116.76 1ddb h THR 152 Ca -0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.75 1ddb h THR 152 Cb 0.60 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1ddb h THR 152 CO 0.11 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.16 1ddb h MET 153 N -0.02 0.00 0.16 4.72 3.00 -1.48 -2.87 114.93 118.45 1ddb h MET 153 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 60.09 1ddb h MET 153 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.24 1ddb h MET 153 CO -0.94 0.22 -0.08 1.25 0.00 0.00 0.00 176.91 177.37 1ddb h LEU 154 N 0.00 -0.18 -0.28 -0.10 7.12 0.43 0.85 115.31 123.15 1ddb h LEU 154 Ca -0.00 -0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.02 1ddb h LEU 154 Cb 0.51 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.61 1ddb h LEU 154 CO 0.03 -0.07 -0.20 -0.07 -0.13 0.00 0.00 178.44 178.00 1ddb h LEU 155 N -0.28 -0.66 0.45 2.25 -0.00 -0.99 0.44 115.31 116.52 1ddb h LEU 155 Ca -0.02 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1ddb h LEU 155 Cb 0.22 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1ddb h LEU 155 CO 0.04 -0.24 -0.21 0.00 -0.00 0.00 0.00 178.44 178.02 1ddb h ALA 156 N 0.95 -0.60 -0.71 1.53 0.00 -1.42 4.28 119.26 123.29 1ddb h ALA 156 Ca 0.15 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 156 Cb 0.41 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1ddb h ALA 156 CO -0.39 -0.82 -0.25 -0.22 0.00 0.00 0.00 179.25 177.58 1ddb h LYS 157 N -0.64 -0.05 0.11 0.00 3.11 0.14 5.35 116.57 124.60 1ddb h LYS 157 Ca -0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1ddb h LYS 157 Cb 0.48 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1ddb h LYS 157 CO 0.10 -0.03 -0.06 0.87 -2.81 0.00 0.00 179.45 177.52 1ddb h LYS 158 N -0.05 -0.15 0.02 1.90 1.79 0.14 -3.30 116.57 116.91 1ddb h LYS 158 Ca 0.32 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1ddb h LYS 158 Cb 0.55 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 1ddb h LYS 158 CO -0.75 0.32 -0.39 0.28 -1.08 0.00 0.00 179.45 177.83 1ddb h VAL 159 N -0.89 0.19 -0.97 0.50 2.07 0.92 11.77 116.25 129.83 1ddb h VAL 159 Ca -0.02 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.84 1ddb h VAL 159 Cb 0.54 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1ddb h VAL 159 CO 0.03 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.25 1ddb n ALA 160 N -2.85 0.96 0.07 1.67 0.00 1.74 0.29 120.51 122.39 1ddb n ALA 160 Ca -0.06 0.59 0.01 0.00 0.00 0.00 0.00 53.44 53.98 1ddb n ALA 160 Cb 0.36 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -4.00 1.53 -0.11 0.00 7.64 0.34 -4.27 113.62 114.74 1ddb n SER 161 Ca 0.28 -0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.57 1ddb n SER 161 Cb 1.10 1.03 -0.09 0.00 -1.01 0.00 0.00 64.21 65.24 1ddb n SER 161 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ddb n HIS 162 N -1.22 0.49 -3.33 1.43 -0.00 3.67 -4.69 115.22 111.57 1ddb n HIS 162 Ca 0.00 0.21 -0.26 0.00 -0.00 0.00 0.00 57.72 57.67 1ddb n HIS 162 Cb 0.04 -0.96 -0.07 0.00 -0.00 0.00 0.00 29.99 29.00 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb n ALA 163 N -3.89 3.70 1.50 1.57 0.00 0.82 -4.87 120.51 119.35 1ddb n ALA 163 Ca -0.37 -4.43 0.08 0.00 0.00 0.00 0.00 53.44 48.72 1ddb n ALA 163 Cb 0.70 -0.87 0.45 0.00 0.00 0.00 0.00 19.45 19.73 1ddb n ALA 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ddb n PRO 164 N 0.88 0.75 -0.09 0.00 -0.04 -0.87 -2.21 135.00 133.42 1ddb n PRO 164 Ca 0.28 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1ddb n PRO 164 Cb 0.44 -1.32 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 1ddb n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ddb n SER 165 N -0.82 2.59 -2.77 3.54 3.41 -1.26 -4.21 113.62 114.09 1ddb n SER 165 Ca 0.11 -1.85 -0.11 0.00 -0.26 0.00 0.00 58.87 56.77 1ddb n SER 165 Cb 0.05 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1ddb n SER 165 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ddb n LEU 166 N 0.95 1.00 0.03 1.04 0.00 -0.94 -4.91 117.00 114.18 1ddb n LEU 166 Ca 0.17 -3.96 0.22 0.00 0.00 0.00 0.00 56.01 52.44 1ddb n LEU 166 Cb 0.49 0.47 0.72 0.00 0.00 0.00 0.00 43.42 45.11 1ddb n LEU 166 CO 0.15 1.74 1.20 0.17 0.00 0.00 0.00 177.39 180.65 1ddb h LEU 167 N 2.93 0.00 0.52 -1.96 8.10 -1.73 0.01 115.31 123.17 1ddb h LEU 167 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.89 1ddb h LEU 167 Cb 1.14 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.37 1ddb h LEU 167 CO 0.45 0.00 -0.25 0.03 -4.11 0.00 0.00 178.44 174.57 1ddb h ARG 168 N 0.00 -0.67 -0.79 0.17 2.47 -1.93 -2.58 114.38 111.06 1ddb h ARG 168 Ca 0.25 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 59.11 1ddb h ARG 168 Cb 1.27 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 29.69 1ddb h ARG 168 CO -0.00 -0.39 0.52 0.22 0.56 0.00 0.00 179.97 180.87 1ddb h ASP 169 N -0.83 0.66 0.02 7.04 3.58 -1.34 -0.74 116.42 124.81 1ddb h ASP 169 Ca -0.07 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1ddb h ASP 169 Cb 0.59 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1ddb h ASP 169 CO 0.12 0.40 -0.33 0.58 -2.88 0.00 0.00 179.24 177.13 1ddb h VAL 170 N 0.73 0.00 -0.46 2.25 2.07 -1.05 0.54 116.25 120.34 1ddb h VAL 170 Ca 0.36 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.93 1ddb h VAL 170 Cb 0.43 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1ddb h VAL 170 CO -0.14 0.00 0.20 -0.26 0.02 0.00 0.00 177.57 177.39 1ddb h PHE 171 N -0.43 0.35 -0.84 1.57 -1.00 -1.06 -1.40 116.94 114.13 1ddb h PHE 171 Ca 0.00 0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.96 1ddb h PHE 171 Cb 0.45 -0.09 -0.10 0.00 3.61 0.00 0.00 35.95 39.82 1ddb h PHE 171 CO -0.44 0.15 0.41 1.25 -1.61 0.00 0.00 178.31 178.08 1ddb h HIS 172 N 0.39 0.72 -0.16 -0.55 2.76 -0.57 -0.42 115.15 117.33 1ddb h HIS 172 Ca 0.21 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1ddb h HIS 172 Cb 0.17 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1ddb h HIS 172 CO -0.13 0.14 -0.17 1.15 -1.30 0.00 0.00 177.93 177.62 1ddb h THR 173 N 0.57 0.55 0.24 6.26 2.02 0.12 1.87 112.91 124.54 1ddb h THR 173 Ca 0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 1ddb h THR 173 Cb 0.69 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ddb h THR 173 CO -0.39 0.00 -0.19 0.71 0.37 0.00 0.00 175.52 176.03 1ddb h THR 174 N -0.20 0.00 0.00 3.16 1.35 -0.87 -1.12 112.91 115.23 1ddb h THR 174 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1ddb h THR 174 Cb 0.35 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1ddb h THR 174 CO -0.28 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.51 1ddb n VAL 175 N -3.46 0.00 -0.03 6.82 0.31 -0.55 -3.34 118.33 118.08 1ddb n VAL 175 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.22 1ddb n VAL 175 Cb 0.18 -0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.12 -0.05 0.42 4.52 7.08 0.43 -2.88 115.58 125.21 1ddb h ASN 176 Ca 0.00 -0.31 -0.02 0.00 -3.08 0.00 0.00 56.30 52.89 1ddb h ASN 176 Cb 0.18 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 1ddb h ASN 176 CO 0.00 0.58 -0.20 -0.26 -2.08 0.00 0.00 177.43 175.47 1ddb h PHE 177 N -0.99 -0.52 -0.66 4.14 -1.00 -1.55 -2.76 116.94 113.59 1ddb h PHE 177 Ca -0.01 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 60.95 1ddb h PHE 177 Cb 0.36 0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1ddb h PHE 177 CO 0.08 -0.32 0.71 -0.84 -1.61 0.00 0.00 178.31 176.33 1ddb h ILE 178 N -0.90 0.25 0.43 -0.55 -2.65 -1.77 28.72 117.51 141.05 1ddb h ILE 178 Ca -0.06 0.00 -0.02 0.00 1.03 0.00 0.00 64.86 65.81 1ddb h ILE 178 Cb 0.43 0.43 0.00 0.00 -2.05 0.00 0.00 36.82 35.64 1ddb h ILE 178 CO 0.09 0.00 -0.21 -1.13 0.03 0.00 0.00 178.15 176.94 1ddb h ASN 179 N 0.00 -0.49 0.00 2.16 -0.73 -1.37 -0.20 115.58 114.94 1ddb h ASN 179 Ca 0.31 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1ddb h ASN 179 Cb 1.74 0.13 0.00 0.00 0.27 0.00 0.00 38.32 40.46 1ddb h ASN 179 CO -0.00 -0.15 -0.45 1.67 -0.37 0.00 0.00 177.43 178.12 1ddb n GLN 180 N -5.23 3.93 0.00 6.67 7.27 0.99 -4.51 117.38 126.50 1ddb n GLN 180 Ca -0.10 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1ddb n GLN 180 Cb 0.29 -0.93 0.00 0.00 2.41 0.00 0.00 30.24 32.01 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1ddb n ASN 181 N -1.23 0.00 -3.70 1.69 5.15 8.58 -4.72 115.26 121.03 1ddb n ASN 181 Ca 0.02 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.58 1ddb n ASN 181 Cb 0.14 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.67 7.21 0.22 1.20 7.99 -0.69 -4.72 117.00 127.53 1ddb n LEU 182 Ca 0.00 -4.60 0.09 0.00 -0.01 0.00 0.00 56.01 51.48 1ddb n LEU 182 Cb 0.00 -1.48 0.46 0.00 -0.11 0.00 0.00 43.42 42.29 1ddb n LEU 182 CO 0.00 1.56 0.90 0.15 -1.51 0.00 0.00 177.39 178.49 1ddb h PHE 183 N 5.44 0.00 0.00 -1.77 3.04 -1.26 -3.27 116.94 119.13 1ddb h PHE 183 Ca 0.54 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1ddb h PHE 183 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1ddb h PHE 183 CO 1.42 0.00 0.00 0.45 -2.02 0.00 0.00 178.31 178.16 1ddb n SER 184 N -2.30 0.00 -0.15 0.41 2.88 -1.26 -4.81 113.62 108.39 1ddb n SER 184 Ca -0.01 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.79 1ddb n SER 184 Cb 0.38 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.32 1ddb n SER 184 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1ddb h TYR 185 N 0.00 0.00 0.97 0.66 3.20 -1.90 0.38 116.97 120.28 1ddb h TYR 185 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1ddb h TYR 185 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 1ddb h TYR 185 CO 0.00 0.00 -0.46 0.28 -1.64 0.00 0.00 178.16 176.34 1ddb h VAL 186 N 0.00 0.00 -0.77 1.81 2.07 -1.94 -0.70 116.25 116.72 1ddb h VAL 186 Ca 0.43 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.99 1ddb h VAL 186 Cb 2.59 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.30 1ddb h VAL 186 CO -0.00 0.00 0.42 0.08 0.02 0.00 0.00 177.57 178.09 1ddb h ARG 187 N -1.35 0.70 -0.54 1.57 0.11 -0.66 -0.81 114.38 113.39 1ddb h ARG 187 Ca -0.13 -0.04 0.09 0.00 0.10 0.00 0.00 59.98 60.00 1ddb h ARG 187 Cb 0.99 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.84 1ddb h ARG 187 CO 0.22 0.46 0.11 -0.91 0.10 0.00 0.00 179.97 179.95 1ddb h ASN 188 N 0.72 0.01 -0.53 0.08 2.35 -1.28 0.36 115.58 117.29 1ddb h ASN 188 Ca 0.37 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 56.26 1ddb h ASN 188 Cb 0.34 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 1ddb h ASN 188 CO -0.25 0.03 0.27 0.25 -1.65 0.00 0.00 177.43 176.08 1ddb h LEU 189 N 0.25 0.39 -0.57 1.61 7.12 0.28 0.37 115.31 124.76 1ddb h LEU 189 Ca 0.27 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.32 1ddb h LEU 189 Cb 0.38 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 1ddb h LEU 189 CO -0.35 0.27 0.38 0.58 -0.13 0.00 0.00 178.44 179.18 1ddb h VAL 190 N 0.52 1.14 -0.52 1.05 2.07 -0.21 -1.88 116.25 118.42 1ddb h VAL 190 Ca 0.23 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1ddb h VAL 190 Cb 0.14 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1ddb h VAL 190 CO -0.16 0.14 0.26 0.03 0.02 0.00 0.00 177.57 177.86 1ddb h ARG 191 N 0.77 0.50 -0.64 1.57 3.08 0.71 -1.62 114.38 118.74 1ddb h ARG 191 Ca 0.21 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.31 1ddb h ARG 191 Cb -0.08 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 1ddb h ARG 191 CO -0.05 0.33 0.30 -0.91 -1.07 0.00 0.00 179.97 178.57 1ddb h ASN 192 N 0.51 0.38 0.00 7.04 4.21 -0.36 -3.45 115.58 123.92 1ddb h ASN 192 Ca 0.23 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1ddb h ASN 192 Cb 0.13 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1ddb h ASN 192 CO -0.16 0.23 0.00 1.21 -1.29 0.00 0.00 177.43 177.43 1ddb n GLU 193 N -4.90 0.00 -2.52 0.81 2.13 -0.61 -4.86 120.64 110.69 1ddb n GLU 193 Ca 0.09 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.55 1ddb n GLU 193 Cb 0.24 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.91 1ddb n GLU 193 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1ddb s MET 194 N 0.00 4.07 0.00 5.31 1.75 -1.26 -5.01 119.30 124.17 1ddb s MET 194 Ca 0.00 1.51 0.17 0.00 -1.25 0.00 0.00 55.69 56.12 1ddb s MET 194 Cb 0.00 -2.46 0.13 0.00 2.84 0.00 0.00 34.83 35.34 1ddb s MET 194 CO 0.00 -0.22 1.04 -0.25 -0.65 0.00 0.00 175.02 174.94