#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb s ASP 2 N 0.00 -0.01 0.42 7.83 -4.77 -1.26 -4.95 116.67 113.92 1ddb s ASP 2 Ca 0.00 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.19 1ddb s ASP 2 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 1ddb s ASP 2 CO 0.00 -0.12 0.01 -1.20 0.70 0.00 0.00 175.17 174.56 1ddb n SER 3 N -0.66 3.13 -2.82 2.11 7.64 -1.26 -5.09 113.62 116.66 1ddb n SER 3 Ca -0.05 -2.81 -0.11 0.00 1.01 0.00 0.00 58.87 56.91 1ddb n SER 3 Cb 0.62 0.28 0.03 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.06 1.09 -3.60 1.43 2.13 -1.26 -5.10 120.64 114.27 1ddb n GLU 4 Ca -0.17 -3.01 -0.11 0.00 0.66 0.00 0.00 57.16 54.53 1ddb n GLU 4 Cb 0.53 -1.21 -0.04 0.00 0.27 0.00 0.00 31.44 30.99 1ddb n GLU 4 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddb s VAL 5 N -2.26 0.04 0.00 6.31 0.11 -1.26 -5.18 120.40 118.17 1ddb s VAL 5 Ca 0.30 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1ddb s VAL 5 Cb 0.41 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1ddb s VAL 5 CO -0.02 -0.20 0.00 -1.54 -3.33 0.00 0.00 175.10 170.02 1ddb n SER 6 N -0.29 0.00 -3.64 3.54 3.41 -1.26 -5.06 113.62 110.32 1ddb n SER 6 Ca -0.15 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.49 1ddb n SER 6 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1ddb n SER 6 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ddb s ASN 7 N 0.00 -0.02 0.00 4.04 2.47 -1.26 -5.18 114.94 114.99 1ddb s ASN 7 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.21 1ddb s ASN 7 Cb 0.00 0.07 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 1ddb s ASN 7 CO 0.00 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.86 1ddb n GLY 8 N -0.58 1.64 0.00 1.21 0.00 -1.26 -5.13 105.19 101.08 1ddb n GLY 8 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 9 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.18 113.62 111.67 1ddb n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 10 N 1.05 0.16 0.86 0.46 0.00 -1.26 -5.16 105.19 101.29 1ddb n GLY 10 Ca 0.00 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.47 -4.94 0.99 4.77 -1.26 -4.92 117.00 111.17 1ddb n LEU 11 Ca 0.00 1.05 -0.21 0.00 -0.03 0.00 0.00 56.01 56.82 1ddb n LEU 11 Cb 0.00 -2.67 -0.02 0.00 -2.33 0.00 0.00 43.42 38.39 1ddb n LEU 11 CO 0.00 -2.06 -0.05 -0.83 -1.33 0.00 0.00 177.39 173.12 1ddb s GLY 12 N -5.67 1.35 -0.15 -0.72 0.00 -1.26 -4.87 107.32 96.00 1ddb s GLY 12 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 1ddb s GLY 12 CO 0.00 -1.33 0.20 0.00 0.00 0.00 0.00 173.10 171.98 1ddb n ALA 13 N -1.41 -3.50 0.00 3.20 0.00 -1.26 -4.93 120.51 112.61 1ddb n ALA 13 Ca -0.07 2.02 0.00 0.00 0.00 0.00 0.00 53.44 55.39 1ddb n ALA 13 Cb 0.57 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 16.03 1ddb n ALA 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ddb n LYS 14 N 1.52 0.00 -0.09 0.00 2.85 -1.26 -5.01 118.16 116.16 1ddb n LYS 14 Ca -0.35 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 56.85 1ddb n LYS 14 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 1ddb n LYS 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ddb h HIS 15 N 0.00 -0.37 -0.33 5.58 3.86 -1.92 0.28 115.15 122.25 1ddb h HIS 15 Ca 0.00 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1ddb h HIS 15 Cb 0.00 0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 1ddb h HIS 15 CO 0.00 -0.23 -0.03 0.97 0.86 0.00 0.00 177.93 179.50 1ddb h ILE 16 N -0.09 0.73 -0.98 2.45 6.09 -2.01 -0.33 117.51 123.36 1ddb h ILE 16 Ca 0.17 -0.02 0.16 0.00 -1.37 0.00 0.00 64.86 63.80 1ddb h ILE 16 Cb 0.35 0.66 -0.10 0.00 0.47 0.00 0.00 36.82 38.21 1ddb h ILE 16 CO -0.40 0.01 0.59 0.74 -3.07 0.00 0.00 178.15 176.03 1ddb h THR 17 N 0.06 0.78 -1.03 2.19 2.02 -1.57 0.20 112.91 115.56 1ddb h THR 17 Ca 0.16 -0.28 0.27 0.00 0.77 0.00 0.00 66.41 67.33 1ddb h THR 17 Cb 0.23 -0.11 -0.12 0.00 -1.74 0.00 0.00 68.15 66.40 1ddb h THR 17 CO -0.29 0.15 0.62 -0.78 0.37 0.00 0.00 175.52 175.59 1ddb h ASP 18 N 0.82 0.58 0.63 4.18 3.58 0.82 2.22 116.42 129.24 1ddb h ASP 18 Ca 0.54 0.13 -0.08 0.00 0.42 0.00 0.00 57.03 58.04 1ddb h ASP 18 Cb 0.73 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1ddb h ASP 18 CO -0.34 0.04 -0.39 -0.07 -2.88 0.00 0.00 179.24 175.60 1ddb h LEU 19 N 0.47 0.00 0.45 2.28 -0.00 -0.54 -2.85 115.31 115.11 1ddb h LEU 19 Ca 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.52 1ddb h LEU 19 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1ddb h LEU 19 CO -0.46 0.39 -0.22 0.25 -0.00 0.00 0.00 178.44 178.40 1ddb h LEU 20 N 0.00 -0.51 0.33 1.67 7.12 0.39 1.41 115.31 125.72 1ddb h LEU 20 Ca -0.00 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ddb h LEU 20 Cb 0.81 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.04 1ddb h LEU 20 CO 0.05 -0.34 -0.48 -0.37 -0.13 0.00 0.00 178.44 177.18 1ddb h VAL 21 N -0.63 0.00 -0.72 1.05 -1.51 -1.30 1.84 116.25 114.98 1ddb h VAL 21 Ca -0.06 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.49 1ddb h VAL 21 Cb 0.48 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 29.59 1ddb h VAL 21 CO 0.10 0.00 0.47 0.15 -1.23 0.00 0.00 177.57 177.06 1ddb h PHE 22 N -0.84 0.71 -0.16 5.19 3.57 -1.46 -0.91 116.94 123.03 1ddb h PHE 22 Ca -0.04 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 1ddb h PHE 22 Cb 0.77 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ddb h PHE 22 CO -0.32 0.36 -0.60 0.78 -2.23 0.00 0.00 178.31 176.30 1ddb h GLY 23 N 0.68 0.59 0.40 2.40 0.00 0.29 -2.75 103.07 104.69 1ddb h GLY 23 Ca 0.32 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1ddb h GLY 23 CO -0.11 0.65 -0.42 -2.75 0.00 0.00 0.00 176.54 173.91 1ddb h PHE 24 N 0.40 -1.16 -0.74 5.60 3.04 0.43 0.25 116.94 124.77 1ddb h PHE 24 Ca -0.00 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.02 1ddb h PHE 24 Cb 1.15 0.48 -0.05 0.00 2.56 0.00 0.00 35.95 40.09 1ddb h PHE 24 CO 0.05 -0.54 0.44 -0.07 -2.02 0.00 0.00 178.31 176.17 1ddb h LEU 25 N -0.73 0.70 -1.93 0.59 4.07 -1.56 0.70 115.31 117.15 1ddb h LEU 25 Ca -0.00 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1ddb h LEU 25 Cb 0.71 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1ddb h LEU 25 CO -0.17 0.46 0.14 -0.61 -1.08 0.00 0.00 178.44 177.18 1ddb h GLN 26 N 0.83 0.08 0.20 1.13 -0.00 -1.06 -2.98 115.11 113.32 1ddb h GLN 26 Ca 0.31 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.95 1ddb h GLN 26 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1ddb h GLN 26 CO -0.15 0.05 -0.10 1.03 0.00 0.00 0.00 178.83 179.67 1ddb h SER 27 N 0.09 -0.23 0.00 -0.69 0.87 0.18 -3.48 113.55 110.29 1ddb h SER 27 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ddb h SER 27 Cb 0.27 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1ddb h SER 27 CO -0.01 -0.03 0.00 -1.20 -0.53 0.00 0.00 176.83 175.07 1ddb n SER 28 N -3.50 0.00 0.00 6.23 7.64 -0.61 -4.83 113.62 118.55 1ddb n SER 28 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ddb n SER 28 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.04 1.17 0.00 0.23 0.00 -1.26 -4.12 105.19 101.26 1ddb n GLY 29 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.19 0.00 -1.32 -1.26 -5.00 115.64 108.26 1ddb s THR 31 Ca 0.00 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.58 1ddb s THR 31 Cb 0.00 -2.44 0.17 0.00 -1.51 0.00 0.00 72.50 68.73 1ddb s THR 31 CO 0.00 0.00 1.62 0.08 -2.21 0.00 0.00 174.62 174.11 1ddb h ARG 32 N 2.36 -0.06 -0.45 7.08 0.11 -1.91 0.86 114.38 122.37 1ddb h ARG 32 Ca -0.30 0.00 0.13 0.00 0.10 0.00 0.00 59.98 59.91 1ddb h ARG 32 Cb 1.25 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 1ddb h ARG 32 CO 0.43 -0.04 0.38 -0.56 0.10 0.00 0.00 179.97 180.28 1ddb h GLN 33 N -0.06 0.00 0.52 0.08 -0.00 -1.97 -1.85 115.11 111.83 1ddb h GLN 33 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.88 1ddb h GLN 33 Cb 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.94 1ddb h GLN 33 CO -0.60 0.00 -0.25 1.49 -0.00 0.00 0.00 178.83 179.47 1ddb h GLU 34 N 0.00 -0.67 -1.25 0.06 4.57 0.33 -2.09 114.58 115.52 1ddb h GLU 34 Ca 0.22 0.05 0.38 0.00 -1.18 0.00 0.00 59.36 58.82 1ddb h GLU 34 Cb 0.97 0.15 -0.11 0.00 -0.16 0.00 0.00 28.75 29.60 1ddb h GLU 34 CO -0.00 -0.40 0.82 1.37 -1.18 0.00 0.00 179.01 179.61 1ddb h LEU 35 N -1.13 0.27 -0.42 1.64 -0.00 -0.60 1.69 115.31 116.77 1ddb h LEU 35 Ca -0.07 0.10 -0.16 0.00 -0.00 0.00 0.00 57.88 57.75 1ddb h LEU 35 Cb 0.58 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1ddb h LEU 35 CO 0.12 -0.07 -0.38 -0.08 -0.00 0.00 0.00 178.44 178.02 1ddb h GLU 36 N 0.17 0.92 0.71 0.17 4.81 -1.33 1.41 114.58 121.44 1ddb h GLU 36 Ca 0.73 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1ddb h GLU 36 Cb 2.27 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.67 1ddb h GLU 36 CO -0.33 1.13 -0.34 0.28 -0.73 0.00 0.00 179.01 179.02 1ddb h VAL 37 N 0.75 0.00 -0.41 0.32 2.07 0.31 -1.35 116.25 117.95 1ddb h VAL 37 Ca 0.06 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1ddb h VAL 37 Cb 0.97 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ddb h VAL 37 CO 0.09 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.74 1ddb h LEU 38 N -1.16 0.60 -0.61 2.57 3.38 -0.97 -2.99 115.31 116.13 1ddb h LEU 38 Ca -0.10 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.78 1ddb h LEU 38 Cb 0.73 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 1ddb h LEU 38 CO 0.16 0.65 -0.27 1.23 0.09 0.00 0.00 178.44 180.30 1ddb h GLY 39 N 0.52 0.13 0.00 0.83 0.00 0.19 -3.48 103.07 101.26 1ddb h GLY 39 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ddb h GLY 39 CO -0.00 -0.23 0.00 -2.13 0.00 0.00 0.00 176.54 174.18 1ddb n ARG 40 N -5.44 -0.11 -3.47 4.80 0.63 -0.51 -5.03 116.66 107.52 1ddb n ARG 40 Ca 0.06 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.74 1ddb n ARG 40 Cb 0.35 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.14 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ddb s GLU 41 N -0.65 0.33 -0.24 -0.14 2.12 -1.26 -4.10 118.70 114.75 1ddb s GLU 41 Ca 0.00 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 1ddb s GLU 41 Cb 0.00 -1.02 -0.05 0.00 0.26 0.00 0.00 34.13 33.33 1ddb s GLU 41 CO 0.00 -1.07 0.21 -0.51 -0.54 0.00 0.00 175.26 173.34 1ddb s LEU 42 N 1.92 4.10 -0.07 2.70 2.01 -1.26 -4.99 118.68 123.08 1ddb s LEU 42 Ca 0.11 0.15 -0.14 0.00 0.01 0.00 0.00 54.13 54.26 1ddb s LEU 42 Cb -0.17 -2.17 -0.10 0.00 0.01 0.00 0.00 46.19 43.76 1ddb s LEU 42 CO -0.26 0.02 0.56 1.55 1.01 0.00 0.00 176.35 179.22 1ddb h PRO 43 N 7.67 -0.24 -1.40 1.29 0.13 -2.03 -3.24 132.00 134.18 1ddb h PRO 43 Ca -0.37 0.02 0.47 0.00 -0.87 0.00 0.00 66.00 65.25 1ddb h PRO 43 Cb 1.17 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1ddb h PRO 43 CO 0.64 0.04 0.91 -0.24 -0.23 0.00 0.00 178.00 179.13 1ddb h VAL 44 N -1.00 0.05 0.00 1.56 3.04 -2.07 -3.44 116.25 114.39 1ddb h VAL 44 Ca -0.03 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1ddb h VAL 44 Cb 0.39 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1ddb h VAL 44 CO 0.04 0.01 0.00 1.67 -1.01 0.00 0.00 177.57 178.28 1ddb n GLN 45 N -4.67 0.00 -0.72 4.17 7.27 -1.22 -4.97 117.38 117.23 1ddb n GLN 45 Ca 0.40 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 57.25 1ddb n GLN 45 Cb 1.55 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 34.18 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb n ALA 46 N -1.37 4.47 -0.94 1.69 0.00 -1.26 -4.68 120.51 118.42 1ddb n ALA 46 Ca 0.00 -1.96 -0.32 0.00 0.00 0.00 0.00 53.44 51.16 1ddb n ALA 46 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 19.45 16.43 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 4.40 -0.36 0.00 0.00 4.19 -1.26 -4.89 117.16 119.23 1ddb n TYR 47 Ca 0.43 0.64 0.00 0.00 3.31 0.00 0.00 57.90 62.28 1ddb n TYR 47 Cb 0.14 -1.31 0.00 0.00 0.49 0.00 0.00 39.34 38.66 1ddb n TYR 47 CO 0.00 0.00 0.00 1.87 0.91 0.00 0.00 176.86 179.64 1ddb n TRP 48 N -0.02 0.00 -3.83 2.98 -0.00 -1.26 -5.15 117.44 110.15 1ddb n TRP 48 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.58 1ddb n TRP 48 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.50 1ddb n TRP 48 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1ddb n GLU 49 N -1.28 0.73 -1.54 5.87 1.02 -1.26 -5.15 120.64 119.03 1ddb n GLU 49 Ca 0.00 -1.57 0.08 0.00 -0.02 0.00 0.00 57.16 55.65 1ddb n GLU 49 Cb 0.00 2.07 -0.04 0.00 -0.02 0.00 0.00 31.44 33.45 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddb n ALA 50 N -0.86 -2.83 0.00 0.62 0.00 -1.26 -5.08 120.51 111.10 1ddb n ALA 50 Ca -0.14 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1ddb n ALA 50 Cb 0.55 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.43 0.00 -1.40 0.00 5.68 -1.26 -5.17 116.55 110.97 1ddb n ASP 51 Ca -0.04 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.39 1ddb n ASP 51 Cb 0.58 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1ddb n LEU 52 N 0.00 -1.02 -3.15 -2.12 0.00 -1.26 -5.01 117.00 104.44 1ddb n LEU 52 Ca 0.00 2.28 0.05 0.00 0.00 0.00 0.00 56.01 58.34 1ddb n LEU 52 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 43.42 40.45 1ddb n LEU 52 CO 0.00 -1.83 0.54 -0.70 0.00 0.00 0.00 177.39 175.39 1ddb s GLU 53 N -4.53 0.15 0.55 1.96 2.12 -1.26 -5.17 118.70 112.51 1ddb s GLU 53 Ca 0.00 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.58 1ddb s GLU 53 Cb 0.00 0.08 0.07 0.00 0.26 0.00 0.00 34.13 34.54 1ddb s GLU 53 CO 0.00 -0.25 0.75 0.34 -0.54 0.00 0.00 175.26 175.56 1ddb s ASP 54 N 2.96 5.18 -0.23 -1.70 -1.08 -1.26 -4.93 116.67 115.61 1ddb s ASP 54 Ca 0.22 -0.69 -0.28 0.00 -0.52 0.00 0.00 52.55 51.28 1ddb s ASP 54 Cb -0.03 0.01 0.14 0.00 -1.46 0.00 0.00 42.92 41.58 1ddb s ASP 54 CO -0.21 -1.24 1.10 -0.70 0.52 0.00 0.00 175.17 174.65 1ddb s GLU 55 N -4.63 0.44 0.00 4.34 2.12 -1.26 -5.12 118.70 114.59 1ddb s GLU 55 Ca 0.60 0.25 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1ddb s GLU 55 Cb -0.07 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1ddb s GLU 55 CO 0.38 -0.11 0.00 -0.11 -0.54 0.00 0.00 175.26 174.88 1ddb n LEU 56 N 1.22 -0.26 -3.57 2.70 7.94 -1.26 -4.91 117.00 118.86 1ddb n LEU 56 Ca -0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.71 1ddb n LEU 56 Cb 0.57 0.93 -0.04 0.00 0.53 0.00 0.00 43.42 45.41 1ddb n LEU 56 CO 0.09 0.00 0.79 0.00 -1.11 0.00 0.00 177.39 177.16 1ddb s GLN 57 N -4.53 0.59 -0.29 1.96 -2.07 -1.26 -5.06 119.66 109.00 1ddb s GLN 57 Ca 0.00 0.06 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 1ddb s GLN 57 Cb 0.00 0.28 0.17 0.00 -1.09 0.00 0.00 33.01 32.36 1ddb s GLN 57 CO 0.00 -0.20 0.44 -0.08 -1.32 0.00 0.00 175.29 174.13 1ddb s THR 58 N -1.49 -0.70 0.10 3.63 -1.32 -1.26 -5.15 115.64 109.45 1ddb s THR 58 Ca 0.00 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1ddb s THR 58 Cb -0.01 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1ddb s THR 58 CO -0.01 -0.23 -0.08 -0.62 -2.21 0.00 0.00 174.62 171.48 1ddb s ASP 59 N 2.59 1.29 0.15 8.08 2.15 -1.26 -5.16 116.67 124.50 1ddb s ASP 59 Ca 0.10 -0.94 -0.25 0.00 0.43 0.00 0.00 52.55 51.89 1ddb s ASP 59 Cb -0.12 0.06 0.06 0.00 -0.30 0.00 0.00 42.92 42.62 1ddb s ASP 59 CO -0.29 -0.39 0.87 -0.83 -0.17 0.00 0.00 175.17 174.36 1ddb s GLY 60 N -2.86 -0.29 -0.09 2.66 0.00 -1.26 -5.18 107.32 100.31 1ddb s GLY 60 Ca 0.10 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.96 1ddb s GLY 60 CO -0.03 0.07 0.29 -0.45 0.00 0.00 0.00 173.10 172.98 1ddb s SER 61 N -2.83 -0.28 0.00 1.64 0.15 -1.26 -5.02 113.70 106.11 1ddb s SER 61 Ca 0.09 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1ddb s SER 61 Cb -0.02 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ddb s SER 61 CO -0.01 -0.18 0.00 1.67 1.20 0.00 0.00 173.24 175.93 1ddb n GLN 62 N 2.56 0.00 -0.14 5.44 7.27 -1.26 -5.01 117.38 126.25 1ddb n GLN 62 Ca -0.15 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.87 1ddb n GLN 62 Cb 0.57 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.18 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb h ALA 63 N 0.00 -0.32 0.00 1.69 0.00 -2.00 -3.44 119.26 115.19 1ddb h ALA 63 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ddb h ALA 63 Cb 0.00 1.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ddb h ALA 63 CO 0.00 -0.48 0.00 0.45 0.00 0.00 0.00 179.25 179.22 1ddb n SER 64 N -3.92 0.00 -4.48 0.00 2.88 -1.26 -4.82 113.62 102.02 1ddb n SER 64 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1ddb n SER 64 Cb 0.12 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 1ddb n SER 64 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ddb s ARG 65 N 0.00 3.57 0.00 -1.46 3.52 -1.26 -4.86 118.95 118.46 1ddb s ARG 65 Ca 0.00 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.06 1ddb s ARG 65 Cb 0.00 -4.98 0.00 0.00 -1.56 0.00 0.00 34.95 28.41 1ddb s ARG 65 CO 0.00 -1.89 0.00 -1.13 -0.81 0.00 0.00 175.30 171.47 1ddb n SER 66 N 7.21 0.00 -4.33 -2.12 3.41 -1.26 -5.16 113.62 111.37 1ddb n SER 66 Ca 0.24 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.66 1ddb n SER 66 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1ddb n SER 66 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ddb s PHE 67 N -1.91 1.70 0.00 7.33 0.40 -1.26 -5.10 117.98 119.13 1ddb s PHE 67 Ca 0.00 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1ddb s PHE 67 Cb 0.00 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1ddb s PHE 67 CO 0.00 0.33 0.00 0.09 0.70 0.00 0.00 175.22 176.34 1ddb n ASN 68 N -0.15 0.00 -4.54 1.36 4.13 -1.26 -5.18 115.26 109.62 1ddb n ASN 68 Ca -0.10 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.91 1ddb n ASN 68 Cb 0.59 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.96 1ddb n ASN 68 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ddb s GLN 69 N 0.00 1.42 -0.00 3.52 -1.52 -1.26 -5.12 119.66 116.71 1ddb s GLN 69 Ca 0.00 -0.81 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 1ddb s GLN 69 Cb 0.00 -2.17 0.10 0.00 -0.22 0.00 0.00 33.01 30.73 1ddb s GLN 69 CO 0.00 -1.71 1.09 0.20 -0.25 0.00 0.00 175.29 174.62 1ddb s GLY 70 N -4.76 -0.35 0.50 3.09 0.00 -1.26 -5.19 107.32 99.35 1ddb s GLY 70 Ca 0.68 0.79 0.03 0.00 0.00 0.00 0.00 44.72 46.21 1ddb s GLY 70 CO 0.47 0.22 0.04 1.09 0.00 0.00 0.00 173.10 174.92 1ddb s ARG 71 N -2.82 2.17 -0.23 2.90 3.03 -1.26 -5.13 118.95 117.61 1ddb s ARG 71 Ca 0.11 -2.31 -0.06 0.00 2.03 0.00 0.00 55.73 55.50 1ddb s ARG 71 Cb 0.01 -1.61 -0.02 0.00 -1.03 0.00 0.00 34.95 32.30 1ddb s ARG 71 CO -0.03 -0.33 0.01 0.96 -1.13 0.00 0.00 175.30 174.78 1ddb s ILE 72 N -2.84 3.86 0.26 4.99 -5.25 -1.26 -5.10 121.20 115.87 1ddb s ILE 72 Ca 0.14 -0.33 -0.14 0.00 -0.99 0.00 0.00 60.65 59.33 1ddb s ILE 72 Cb 0.03 -2.78 -0.08 0.00 2.95 0.00 0.00 42.46 42.57 1ddb s ILE 72 CO 0.07 0.39 0.65 -1.83 -1.79 0.00 0.00 174.94 172.43 1ddb s GLU 73 N 1.46 3.96 1.01 0.37 -1.05 -1.26 -5.08 118.70 118.12 1ddb s GLU 73 Ca 0.05 0.54 -0.16 0.00 -0.15 0.00 0.00 54.97 55.26 1ddb s GLU 73 Cb -0.15 -2.60 0.20 0.00 -0.44 0.00 0.00 34.13 31.14 1ddb s GLU 73 CO 0.00 0.27 1.19 -1.25 0.95 0.00 0.00 175.26 176.42 1ddb s PRO 74 N -2.71 0.28 0.24 -4.83 0.04 -1.26 -4.91 135.00 121.84 1ddb s PRO 74 Ca 0.49 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1ddb s PRO 74 Cb -0.12 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ddb s PRO 74 CO 0.19 -2.72 0.30 -0.25 0.04 0.00 0.00 177.00 174.56 1ddb n ASP 75 N -4.06 -0.82 -4.18 6.66 8.00 -1.26 -5.07 116.55 115.81 1ddb n ASP 75 Ca 0.11 -2.33 -0.28 0.00 0.71 0.00 0.00 54.79 53.00 1ddb n ASP 75 Cb 0.59 1.59 0.18 0.00 -0.02 0.00 0.00 41.12 43.46 1ddb n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ddb s SER 76 N -2.50 3.26 0.24 -2.24 0.01 -1.26 -5.10 113.70 106.11 1ddb s SER 76 Ca 0.21 0.00 0.12 0.00 1.31 0.00 0.00 55.95 57.59 1ddb s SER 76 Cb -0.00 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1ddb s SER 76 CO 0.15 -2.62 -0.20 -1.61 0.41 0.00 0.00 173.24 169.38 1ddb s GLU 77 N -5.73 1.68 -0.28 12.44 8.01 -1.26 -5.05 118.70 128.51 1ddb s GLU 77 Ca 0.74 -1.64 -0.17 0.00 0.01 0.00 0.00 54.97 53.91 1ddb s GLU 77 Cb -0.03 -1.84 0.11 0.00 -4.31 0.00 0.00 34.13 28.06 1ddb s GLU 77 CO 0.51 0.36 0.83 -1.54 0.01 0.00 0.00 175.26 175.44 1ddb s SER 78 N -3.20 -0.72 0.00 -0.19 1.04 -1.26 -5.17 113.70 104.19 1ddb s SER 78 Ca 0.27 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.87 1ddb s SER 78 Cb -0.06 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.35 1ddb s SER 78 CO 0.14 -0.19 0.00 0.00 0.98 0.00 0.00 173.24 174.17 1ddb n GLN 79 N 3.88 0.00 -0.79 4.02 6.02 -1.26 -5.02 117.38 124.23 1ddb n GLN 79 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.52 1ddb n GLN 79 Cb 0.58 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.81 1ddb n GLN 79 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ddb n GLU 80 N -0.12 1.54 0.00 -1.09 0.28 -1.26 -3.95 120.64 116.04 1ddb n GLU 80 Ca 0.00 -1.47 0.00 0.00 -0.16 0.00 0.00 57.16 55.53 1ddb n GLU 80 Cb 0.00 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.30 1ddb n GLU 80 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ddb n GLU 81 N 5.51 0.00 0.10 3.44 0.28 -1.26 -5.03 120.64 123.68 1ddb n GLU 81 Ca 0.42 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.26 1ddb n GLU 81 Cb 0.23 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.96 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1ddb h ILE 82 N 0.00 1.45 -0.27 3.84 -0.00 -2.00 -3.08 117.51 117.45 1ddb h ILE 82 Ca 0.00 -3.03 0.06 0.00 -0.00 0.00 0.00 64.86 61.89 1ddb h ILE 82 Cb 0.00 2.91 -0.06 0.00 -0.00 0.00 0.00 36.82 39.67 1ddb h ILE 82 CO 0.00 0.88 -0.12 0.40 -0.00 0.00 0.00 178.15 179.32 1ddb h ILE 83 N 0.07 0.62 -0.36 0.16 2.04 -1.95 0.11 117.51 118.20 1ddb h ILE 83 Ca -0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1ddb h ILE 83 Cb 1.97 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1ddb h ILE 83 CO 0.20 0.00 0.11 0.45 0.00 0.00 0.00 178.15 178.90 1ddb h HIS 84 N -0.07 0.51 -0.18 1.37 3.86 -1.96 -1.89 115.15 116.78 1ddb h HIS 84 Ca 0.14 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1ddb h HIS 84 Cb 0.28 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1ddb h HIS 84 CO -0.31 0.44 -0.04 -0.97 0.86 0.00 0.00 177.93 177.91 1ddb h ASN 85 N 0.51 -0.16 -0.11 2.45 -0.73 -0.76 -0.24 115.58 116.55 1ddb h ASN 85 Ca 0.12 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 1ddb h ASN 85 Cb 0.17 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1ddb h ASN 85 CO -0.01 -0.05 -0.01 -0.29 -0.37 0.00 0.00 177.43 176.70 1ddb h ILE 86 N 0.01 1.14 -0.48 2.57 6.09 -0.62 -2.11 117.51 124.11 1ddb h ILE 86 Ca 0.09 -0.55 0.09 0.00 -1.37 0.00 0.00 64.86 63.11 1ddb h ILE 86 Cb 0.13 1.00 -0.07 0.00 0.47 0.00 0.00 36.82 38.34 1ddb h ILE 86 CO -0.18 0.18 0.04 0.00 -3.07 0.00 0.00 178.15 175.12 1ddb h ALA 87 N 1.70 0.48 -0.48 0.18 0.00 -0.28 -0.49 119.26 120.37 1ddb h ALA 87 Ca 0.07 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ddb h ALA 87 Cb 0.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ddb h ALA 87 CO 0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 179.25 178.76 1ddb h ARG 88 N 0.16 0.94 0.00 0.00 -0.00 -0.88 -2.12 114.38 112.47 1ddb h ARG 88 Ca 0.24 -0.37 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1ddb h ARG 88 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1ddb h ARG 88 CO -0.36 1.04 0.13 1.25 0.00 0.00 0.00 179.97 182.03 1ddb h HIS 89 N 0.79 0.00 0.00 3.04 2.76 -0.55 -2.67 115.15 118.53 1ddb h HIS 89 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1ddb h HIS 89 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1ddb h HIS 89 CO 0.05 0.00 0.00 -0.11 -1.30 0.00 0.00 177.93 176.57 1ddb n LEU 90 N -2.81 0.00 -0.03 0.26 7.94 -0.33 0.10 117.00 122.13 1ddb n LEU 90 Ca -0.02 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.78 1ddb n LEU 90 Cb 0.19 -0.49 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 1ddb n LEU 90 CO 0.15 -0.49 0.74 0.00 -1.11 0.00 0.00 177.39 176.68 1ddb h ALA 91 N -1.82 -0.06 -0.49 1.96 0.00 -1.63 0.32 119.26 117.54 1ddb h ALA 91 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1ddb h ALA 91 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ddb h ALA 91 CO 0.00 -0.61 0.45 1.96 0.00 0.00 0.00 179.25 181.05 1ddb h GLN 92 N -0.19 0.00 -0.34 0.00 4.20 -1.43 0.58 115.11 117.92 1ddb h GLN 92 Ca 0.12 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1ddb h GLN 92 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1ddb h GLN 92 CO -0.32 0.00 -0.26 0.82 -0.67 0.00 0.00 178.83 178.40 1ddb h ILE 93 N 0.00 1.28 0.30 2.54 2.04 0.46 -2.43 117.51 121.70 1ddb h ILE 93 Ca 0.23 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1ddb h ILE 93 Cb 1.13 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1ddb h ILE 93 CO -0.00 0.45 -0.18 1.23 0.00 0.00 0.00 178.15 179.65 1ddb h GLY 94 N 0.98 -0.47 0.47 5.37 0.00 0.60 1.10 103.07 111.13 1ddb h GLY 94 Ca 0.08 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.67 1ddb h GLY 94 CO 0.06 -0.18 0.07 -1.80 0.00 0.00 0.00 176.54 174.69 1ddb h ASP 95 N -0.46 -0.02 -0.44 0.19 3.58 -1.47 -0.63 116.42 117.17 1ddb h ASP 95 Ca -0.03 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 1ddb h ASP 95 Cb 0.38 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1ddb h ASP 95 CO 0.04 0.03 0.03 -0.08 -2.88 0.00 0.00 179.24 176.37 1ddb h GLU 96 N 0.19 0.83 -0.51 0.28 4.81 -1.13 -2.95 114.58 116.10 1ddb h GLU 96 Ca 0.20 -0.21 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1ddb h GLU 96 Cb 0.25 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 1ddb h GLU 96 CO -0.27 0.81 -0.12 0.00 -0.73 0.00 0.00 179.01 178.70 1ddb h MET 97 N 0.78 0.00 -1.72 1.92 -0.00 0.28 0.27 114.93 116.46 1ddb h MET 97 Ca 0.16 -0.00 0.51 0.00 -0.00 0.00 0.00 59.70 60.37 1ddb h MET 97 Cb 0.42 -0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.94 1ddb h MET 97 CO 0.02 0.00 1.22 -3.47 -0.00 0.00 0.00 176.91 174.67 1ddb n ASP 98 N -5.36 0.04 0.14 -0.10 2.03 -0.89 0.65 116.55 113.06 1ddb n ASP 98 Ca 0.05 0.99 -0.12 0.00 0.52 0.00 0.00 54.79 56.23 1ddb n ASP 98 Cb 0.27 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.10 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ddb h HIS 99 N 0.00 -1.07 -1.90 -0.67 2.76 -0.61 -3.40 115.15 110.26 1ddb h HIS 99 Ca 0.86 0.02 -0.37 0.00 -2.20 0.00 0.00 60.37 58.68 1ddb h HIS 99 Cb 3.32 0.44 -0.30 0.00 1.55 0.00 0.00 27.41 32.42 1ddb h HIS 99 CO -0.00 -0.46 -0.70 1.21 -1.30 0.00 0.00 177.93 176.68 1ddb s ASN 100 N -3.92 0.94 -0.34 3.26 3.84 0.21 -5.08 114.94 113.85 1ddb s ASN 100 Ca -0.12 -1.73 0.01 0.00 0.21 0.00 0.00 52.86 51.22 1ddb s ASN 100 Cb 0.04 0.59 0.11 0.00 -0.55 0.00 0.00 41.25 41.44 1ddb s ASN 100 CO 0.44 -0.23 0.12 -0.51 -2.79 0.00 0.00 177.10 174.12 1ddb s ILE 101 N 1.25 1.21 0.00 -5.21 -1.16 -0.91 -4.86 121.20 111.53 1ddb s ILE 101 Ca 0.19 -1.78 0.00 0.00 -0.51 0.00 0.00 60.65 58.55 1ddb s ILE 101 Cb -0.12 -1.90 0.00 0.00 0.61 0.00 0.00 42.46 41.05 1ddb s ILE 101 CO -0.04 -0.71 0.00 0.00 -2.81 0.00 0.00 174.94 171.38 1ddb n GLN 102 N 4.50 0.00 0.06 3.50 10.64 -1.26 -4.66 117.38 130.16 1ddb n GLN 102 Ca 0.01 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.30 1ddb n GLN 102 Cb 0.41 0.00 0.46 0.00 -0.86 0.00 0.00 30.24 30.24 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 0.12 0.00 2.61 -0.04 -1.26 -4.05 135.00 132.38 1ddb n PRO 103 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ddb n PRO 103 Cb 0.00 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.89 0.00 0.00 0.52 5.66 -1.26 -5.00 114.28 112.32 1ddb n THR 104 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1ddb n THR 104 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 4.77 -1.26 -4.94 117.00 116.66 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ddb n LEU 105 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1ddb n LEU 105 CO 0.00 0.00 0.08 1.33 -1.33 0.00 0.00 177.39 177.47 1ddb n VAL 106 N 0.00 0.00 0.18 4.08 0.24 -1.26 0.77 118.33 122.34 1ddb n VAL 106 Ca 0.00 0.67 0.15 0.00 -2.04 0.00 0.00 64.34 63.12 1ddb n VAL 106 Cb 0.00 -1.42 0.57 0.00 -1.47 0.00 0.00 33.84 31.51 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ddb h ARG 107 N 0.00 0.00 0.18 7.34 1.12 -1.93 0.30 114.38 121.39 1ddb h ARG 107 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1ddb h ARG 107 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1ddb h ARG 107 CO 0.00 0.00 -0.09 1.96 -3.11 0.00 0.00 179.97 178.73 1ddb h GLN 108 N 0.00 -0.24 0.43 0.20 1.08 -1.70 0.57 115.11 115.45 1ddb h GLN 108 Ca 0.13 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1ddb h GLN 108 Cb 1.41 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1ddb h GLN 108 CO -0.00 0.06 -0.20 1.37 -0.95 0.00 0.00 178.83 179.10 1ddb h LEU 109 N -0.54 -0.49 -1.48 1.46 8.10 0.41 -2.64 115.31 120.13 1ddb h LEU 109 Ca -0.03 0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.09 1ddb h LEU 109 Cb 0.41 0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1ddb h LEU 109 CO 0.04 -0.21 0.67 0.00 -4.11 0.00 0.00 178.44 174.83 1ddb h ALA 110 N -1.46 2.07 0.16 0.17 0.00 -1.43 0.52 119.26 119.29 1ddb h ALA 110 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ddb h ALA 110 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ddb h ALA 110 CO 0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 179.25 178.41 1ddb h ALA 111 N 1.01 -0.21 -1.01 0.00 0.00 -0.61 -2.65 119.26 115.78 1ddb h ALA 111 Ca 0.17 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1ddb h ALA 111 Cb 1.51 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.27 1ddb h ALA 111 CO -0.00 -0.41 0.61 -0.56 0.00 0.00 0.00 179.25 178.89 1ddb h GLN 112 N -0.62 0.58 0.03 0.00 -0.00 0.38 0.23 115.11 115.70 1ddb h GLN 112 Ca -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1ddb h GLN 112 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1ddb h GLN 112 CO 0.04 0.38 -0.01 0.27 -0.00 0.00 0.00 178.83 179.50 1ddb h PHE 113 N 0.59 -0.03 -2.02 0.06 -5.15 -1.37 -3.42 116.94 105.60 1ddb h PHE 113 Ca 0.61 -0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 57.76 1ddb h PHE 113 Cb 1.19 0.01 0.05 0.00 0.22 0.00 0.00 35.95 37.41 1ddb h PHE 113 CO -0.00 0.04 0.76 -0.12 -2.00 0.00 0.00 178.31 176.99 1ddb n MET 114 N -5.08 1.81 -3.48 6.09 1.56 0.07 -4.61 117.12 113.48 1ddb n MET 114 Ca -0.07 0.65 -0.24 0.00 -0.27 0.00 0.00 57.70 57.77 1ddb n MET 114 Cb 0.07 -2.40 -0.13 0.00 2.15 0.00 0.00 33.22 32.91 1ddb n MET 114 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1ddb s ASN 115 N 1.53 2.80 -0.67 6.12 0.01 -1.26 -4.98 114.94 118.49 1ddb s ASN 115 Ca 0.84 -1.13 -0.27 0.00 -0.71 0.00 0.00 52.86 51.59 1ddb s ASN 115 Cb -0.79 -0.02 0.01 0.00 0.41 0.00 0.00 41.25 40.87 1ddb s ASN 115 CO 0.45 -0.41 1.46 -0.83 -1.51 0.00 0.00 177.10 176.25 1ddb s GLY 116 N 2.15 0.70 0.11 0.66 0.00 -1.26 -4.36 107.32 105.33 1ddb s GLY 116 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1ddb s GLY 116 CO -0.34 2.88 0.00 1.44 0.00 0.00 0.00 173.10 177.08 1ddb n SER 117 N 10.31 -0.86 -2.06 1.64 7.64 -1.26 -5.12 113.62 123.90 1ddb n SER 117 Ca 0.09 0.22 -0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ddb n SER 117 Cb 0.50 1.09 -0.00 0.00 -1.01 0.00 0.00 64.21 64.78 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 118 N -2.76 -4.70 -3.27 -3.43 7.99 -1.26 -5.04 117.00 104.54 1ddb n LEU 118 Ca 0.00 0.75 -0.25 0.00 -0.01 0.00 0.00 56.01 56.50 1ddb n LEU 118 Cb 0.00 -2.11 -0.08 0.00 -0.11 0.00 0.00 43.42 41.12 1ddb n LEU 118 CO 0.00 -1.59 -0.31 -1.20 -1.51 0.00 0.00 177.39 172.78 1ddb n SER 119 N 0.41 -0.12 0.00 -1.43 7.64 -1.26 -4.77 113.62 114.10 1ddb n SER 119 Ca -0.03 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1ddb n SER 119 Cb 0.05 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1ddb n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddb n GLU 120 N 2.00 0.00 -0.86 1.43 1.02 -1.26 -4.92 120.64 118.05 1ddb n GLU 120 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1ddb n GLU 120 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ddb n GLU 121 N 0.00 0.00 -0.30 3.49 -0.58 -1.26 -4.93 120.64 117.06 1ddb n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ddb n GLU 121 Cb 0.00 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ddb n ASP 122 N -0.37 -1.70 -4.71 1.62 2.03 -1.26 -4.97 116.55 107.20 1ddb n ASP 122 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1ddb n ASP 122 Cb 0.21 -0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 40.19 1ddb n ASP 122 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ddb s LYS 123 N -3.35 3.90 -0.00 -0.67 -2.85 -1.26 -4.95 119.74 110.57 1ddb s LYS 123 Ca 0.00 -0.27 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1ddb s LYS 123 Cb 0.00 -3.25 -0.02 0.00 -2.06 0.00 0.00 37.83 32.50 1ddb s LYS 123 CO 0.00 0.39 0.06 -2.13 0.10 0.00 0.00 175.35 173.77 1ddb n ARG 124 N 3.20 3.73 -0.13 1.78 0.00 -1.26 -4.62 116.66 119.35 1ddb n ARG 124 Ca -0.17 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.55 1ddb n ARG 124 Cb 0.53 -0.78 -0.02 0.00 0.00 0.00 0.00 32.46 32.19 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1ddb h ASN 125 N 0.00 0.99 -0.22 6.15 4.21 -1.98 -1.99 115.58 122.75 1ddb h ASN 125 Ca 0.00 -0.45 0.06 0.00 1.21 0.00 0.00 56.30 57.12 1ddb h ASN 125 Cb 0.06 -0.28 -0.07 0.00 -1.12 0.00 0.00 38.32 36.91 1ddb h ASN 125 CO 0.00 1.23 -0.26 0.00 -1.29 0.00 0.00 177.43 177.11 1ddb h LEU 127 N -0.28 -0.18 -1.76 0.00 -0.00 -1.79 -1.44 115.31 109.86 1ddb h LEU 127 Ca 0.13 0.01 0.37 0.00 -0.00 0.00 0.00 57.88 58.39 1ddb h LEU 127 Cb 0.48 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.14 1ddb h LEU 127 CO -0.38 -0.10 1.06 0.00 -0.00 0.00 0.00 178.44 179.02 1ddb h ALA 128 N -1.77 3.18 -0.30 0.17 0.00 -1.14 3.11 119.26 122.51 1ddb h ALA 128 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ddb h ALA 128 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ddb h ALA 128 CO 0.01 -1.72 0.00 0.87 0.00 0.00 0.00 179.25 178.41 1ddb h LYS 129 N 0.00 0.45 -0.26 0.00 1.57 0.24 -2.15 116.57 116.42 1ddb h LYS 129 Ca 0.61 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 59.14 1ddb h LYS 129 Cb 2.73 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.97 1ddb h LYS 129 CO -0.01 0.47 -0.50 0.00 -0.57 0.00 0.00 179.45 178.85 1ddb h ALA 130 N 1.58 0.41 -0.85 3.86 0.00 0.61 -2.87 119.26 122.00 1ddb h ALA 130 Ca 0.10 -0.49 0.20 0.00 0.00 0.00 0.00 54.91 54.72 1ddb h ALA 130 Cb 0.28 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1ddb h ALA 130 CO 0.01 0.59 0.32 1.37 0.00 0.00 0.00 179.25 181.54 1ddb h LEU 131 N 0.55 0.22 0.06 0.00 8.10 -1.06 0.49 115.31 123.66 1ddb h LEU 131 Ca 0.01 0.15 -0.00 0.00 0.11 0.00 0.00 57.88 58.15 1ddb h LEU 131 Cb 1.11 0.16 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1ddb h LEU 131 CO 0.11 -0.02 -0.03 0.44 -4.11 0.00 0.00 178.44 174.83 1ddb h ASP 132 N 0.35 -0.07 0.24 0.17 3.32 -1.40 0.39 116.42 119.43 1ddb h ASP 132 Ca 0.52 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1ddb h ASP 132 Cb 0.96 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1ddb h ASP 132 CO -0.53 0.14 -0.32 -0.33 -1.72 0.00 0.00 179.24 176.47 1ddb h GLU 133 N -0.27 -0.56 -0.88 3.56 4.39 -0.52 0.42 114.58 120.73 1ddb h GLU 133 Ca -0.01 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.88 1ddb h GLU 133 Cb 0.24 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 1ddb h GLU 133 CO 0.01 -0.37 0.57 -0.24 -1.16 0.00 0.00 179.01 177.82 1ddb h VAL 134 N -0.58 0.82 0.00 3.13 3.04 -0.22 1.80 116.25 124.24 1ddb h VAL 134 Ca -0.03 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1ddb h VAL 134 Cb 0.52 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1ddb h VAL 134 CO -0.08 0.12 0.00 1.17 -1.01 0.00 0.00 177.57 177.77 1ddb n LYS 135 N -4.55 0.94 0.00 4.17 4.81 0.14 -0.64 118.16 123.03 1ddb n LYS 135 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1ddb n LYS 135 Cb 0.49 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.25 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 -0.79 0.00 -0.13 3.15 5.66 0.55 -4.33 114.28 118.38 1ddb n THR 136 Ca 0.13 -0.08 -0.27 0.00 -3.05 0.00 0.00 64.05 60.78 1ddb n THR 136 Cb 0.06 0.56 -0.09 0.00 -1.55 0.00 0.00 70.33 69.31 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 -1.34 1.14 -2.80 1.79 0.00 0.25 -4.68 120.51 114.88 1ddb n ALA 137 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 53.44 52.11 1ddb n ALA 137 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 -4.28 3.83 -2.54 0.00 3.72 0.18 -5.04 117.46 113.34 1ddb n PHE 138 Ca -0.49 -3.69 -0.36 0.00 -0.05 0.00 0.00 57.45 52.86 1ddb n PHE 138 Cb 0.84 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.91 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 -3.54 4.04 0.00 -1.08 0.04 -1.23 -3.93 135.00 129.29 1ddb s PRO 139 Ca 0.48 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1ddb s PRO 139 Cb 0.31 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ddb s PRO 139 CO -0.16 -0.24 0.00 -2.13 0.04 0.00 0.00 177.00 174.51 1ddb n ARG 140 N -0.36 0.00 0.00 4.56 0.00 -1.26 -4.66 116.66 114.94 1ddb n ARG 140 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1ddb n ARG 140 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ddb n ASP 141 N 0.00 0.00 -0.27 6.15 8.00 -1.26 -3.81 116.55 125.37 1ddb n ASP 141 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1ddb n ASP 141 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1ddb n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddb h MET 142 N 0.00 1.10 0.68 -1.24 -0.00 -2.00 2.02 114.93 115.49 1ddb h MET 142 Ca 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 1ddb h MET 142 Cb 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 31.60 31.37 1ddb h MET 142 CO 0.00 0.77 -0.33 1.05 -0.00 0.00 0.00 176.91 178.40 1ddb h GLU 143 N 1.12 -0.88 0.49 -0.10 9.09 -1.95 0.40 114.58 122.76 1ddb h GLU 143 Ca 0.29 0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.74 1ddb h GLU 143 Cb -0.06 0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1ddb h GLU 143 CO -0.06 -0.55 -0.24 -0.97 0.05 0.00 0.00 179.01 177.24 1ddb h ASN 144 N -1.07 -0.56 -0.97 3.06 -1.24 -1.64 -0.80 115.58 112.36 1ddb h ASN 144 Ca -0.09 -0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.07 1ddb h ASN 144 Cb 0.73 0.15 -0.17 0.00 0.73 0.00 0.00 38.32 39.76 1ddb h ASN 144 CO 0.15 -0.14 -0.35 0.44 -1.29 0.00 0.00 177.43 176.24 1ddb h ASP 145 N -1.15 -1.28 -0.25 1.15 3.32 0.32 2.74 116.42 121.26 1ddb h ASP 145 Ca -0.07 0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1ddb h ASP 145 Cb 0.54 0.71 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1ddb h ASP 145 CO 0.11 -0.30 0.08 0.50 -1.72 0.00 0.00 179.24 177.91 1ddb h LYS 146 N -0.01 0.47 0.48 3.56 3.64 -0.94 -2.45 116.57 121.33 1ddb h LYS 146 Ca 0.37 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1ddb h LYS 146 Cb 0.63 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ddb h LYS 146 CO -0.98 0.44 -0.23 0.00 -2.27 0.00 0.00 179.45 176.41 1ddb h ALA 147 N 1.63 -0.65 -0.26 5.00 0.00 0.61 0.31 119.26 125.90 1ddb h ALA 147 Ca 0.11 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ddb h ALA 147 Cb 0.18 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1ddb h ALA 147 CO -0.00 -0.83 -0.46 0.52 0.00 0.00 0.00 179.25 178.47 1ddb h MET 148 N -0.72 -0.43 -0.76 0.00 2.86 0.18 0.55 114.93 116.61 1ddb h MET 148 Ca -0.07 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1ddb h MET 148 Cb 0.53 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.21 1ddb h MET 148 CO 0.11 -0.29 0.37 -0.07 1.06 0.00 0.00 176.91 178.10 1ddb h LEU 149 N -0.44 0.46 -1.81 1.22 4.07 -1.40 0.45 115.31 117.85 1ddb h LEU 149 Ca 0.09 0.08 0.20 0.00 0.08 0.00 0.00 57.88 58.33 1ddb h LEU 149 Cb 0.62 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 1ddb h LEU 149 CO -0.49 0.23 0.55 -0.29 -1.08 0.00 0.00 178.44 177.36 1ddb h ILE 150 N 0.59 0.66 0.47 1.22 -0.00 0.12 -0.79 117.51 119.79 1ddb h ILE 150 Ca 0.39 -0.06 -0.02 0.00 -0.00 0.00 0.00 64.86 65.17 1ddb h ILE 150 Cb 0.49 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 37.80 1ddb h ILE 150 CO -0.32 0.03 -0.23 0.24 -0.00 0.00 0.00 178.15 177.88 1ddb h MET 151 N 0.16 -0.61 -0.98 2.19 2.86 0.12 -1.86 114.93 116.81 1ddb h MET 151 Ca 0.39 0.04 0.24 0.00 -2.06 0.00 0.00 59.70 58.31 1ddb h MET 151 Cb 1.28 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.95 1ddb h MET 151 CO -0.07 -0.38 0.55 1.79 1.06 0.00 0.00 176.91 179.86 1ddb h THR 152 N -0.67 0.51 0.00 2.22 1.35 -1.05 1.05 112.91 116.32 1ddb h THR 152 Ca -0.06 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 1ddb h THR 152 Cb 0.51 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1ddb h THR 152 CO 0.11 0.10 -0.31 -0.03 -0.25 0.00 0.00 175.52 175.14 1ddb h MET 153 N 0.53 0.00 0.03 4.72 -1.53 -1.22 -2.93 114.93 114.53 1ddb h MET 153 Ca 0.63 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.90 1ddb h MET 153 Cb 1.21 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.25 1ddb h MET 153 CO -0.49 0.31 -0.06 1.25 0.14 0.00 0.00 176.91 178.05 1ddb h LEU 154 N 0.00 -0.16 0.18 3.39 7.12 0.20 2.24 115.31 128.27 1ddb h LEU 154 Ca -0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.04 1ddb h LEU 154 Cb 0.63 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.79 1ddb h LEU 154 CO 0.04 -0.09 -0.31 -0.07 -0.13 0.00 0.00 178.44 177.87 1ddb h LEU 155 N -0.12 -0.89 0.13 2.25 -0.00 -1.32 -1.84 115.31 113.52 1ddb h LEU 155 Ca 0.01 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1ddb h LEU 155 Cb 0.13 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1ddb h LEU 155 CO -0.04 -0.41 -0.06 0.00 -0.00 0.00 0.00 178.44 177.92 1ddb h ALA 156 N 0.05 -0.17 -0.88 1.53 0.00 -1.38 0.27 119.26 118.68 1ddb h ALA 156 Ca 0.02 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.19 1ddb h ALA 156 Cb 0.58 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1ddb h ALA 156 CO -0.15 -0.59 0.27 1.17 0.00 0.00 0.00 179.25 179.96 1ddb n LYS 157 N -5.15 -0.06 -0.03 0.00 0.00 0.75 -1.07 118.16 112.60 1ddb n LYS 157 Ca -0.08 1.26 -0.00 0.00 0.00 0.00 0.00 58.31 59.48 1ddb n LYS 157 Cb 0.10 -2.15 -0.00 0.00 0.00 0.00 0.00 35.03 32.99 1ddb n LYS 157 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1ddb h LYS 158 N 0.00 0.00 -6.95 1.64 1.79 -0.70 -3.35 116.57 109.00 1ddb h LYS 158 Ca 0.65 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.63 1ddb h LYS 158 Cb 1.59 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.25 1ddb h LYS 158 CO -0.75 0.00 0.19 0.54 -1.08 0.00 0.00 179.45 178.35 1ddb s VAL 159 N -1.39 4.73 -1.16 0.50 0.11 0.90 0.91 120.40 125.00 1ddb s VAL 159 Ca -0.01 0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 59.76 1ddb s VAL 159 Cb 0.00 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1ddb s VAL 159 CO 0.02 -0.59 0.41 0.00 -3.33 0.00 0.00 175.10 171.61 1ddb n ALA 160 N -1.45 -0.69 0.00 1.54 0.00 -0.88 -4.13 120.51 114.91 1ddb n ALA 160 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ddb n ALA 160 Cb 0.54 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.33 0.00 0.00 0.00 7.64 -1.25 -3.53 113.62 115.15 1ddb n SER 161 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1ddb n SER 161 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ddb n HIS 162 N 0.00 0.00 -3.66 1.43 -0.00 0.53 -4.96 115.22 108.55 1ddb n HIS 162 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1ddb n HIS 162 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 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 -1.00 3.35 -0.69 -1.41 0.00 5.50 -4.81 121.76 122.70 1ddb s ALA 163 Ca 0.00 -2.68 -0.27 0.00 0.00 0.00 0.00 51.96 49.01 1ddb s ALA 163 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1ddb s ALA 163 CO 0.00 -1.91 1.57 -1.25 0.00 0.00 0.00 175.76 174.17 1ddb s PRO 164 N 1.00 2.92 0.00 0.00 0.04 -1.26 -2.06 135.00 135.64 1ddb s PRO 164 Ca 0.09 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1ddb s PRO 164 Cb -0.23 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1ddb s PRO 164 CO -0.03 -2.45 0.00 0.43 0.04 0.00 0.00 177.00 174.99 1ddb n SER 165 N 11.05 0.00 -3.43 6.66 7.64 -1.26 -5.04 113.62 129.25 1ddb n SER 165 Ca 0.13 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 1ddb n SER 165 Cb 0.50 0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1ddb n SER 165 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ddb s LEU 166 N -3.10 0.45 0.62 -3.43 1.98 -1.26 -4.79 118.68 109.14 1ddb s LEU 166 Ca 0.00 -1.76 0.31 0.00 -2.89 0.00 0.00 54.13 49.79 1ddb s LEU 166 Cb 0.00 0.04 1.70 0.00 0.66 0.00 0.00 46.19 48.59 1ddb s LEU 166 CO 0.00 -0.31 2.03 0.17 -1.89 0.00 0.00 176.35 176.35 1ddb h LEU 167 N 7.26 0.00 0.19 -0.68 8.10 -1.95 -2.09 115.31 126.15 1ddb h LEU 167 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1ddb h LEU 167 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1ddb h LEU 167 CO 0.26 0.00 -0.11 0.03 -4.11 0.00 0.00 178.44 174.51 1ddb h ARG 168 N 0.00 -0.27 -0.77 0.17 2.47 -1.93 -1.99 114.38 112.06 1ddb h ARG 168 Ca 0.08 0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.96 1ddb h ARG 168 Cb 0.64 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.97 1ddb h ARG 168 CO -0.00 -0.18 0.51 0.22 0.56 0.00 0.00 179.97 181.08 1ddb h ASP 169 N -0.28 0.42 -0.36 7.04 3.58 -1.84 -0.78 116.42 124.21 1ddb h ASP 169 Ca -0.03 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.52 1ddb h ASP 169 Cb 0.22 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.12 1ddb h ASP 169 CO 0.03 0.22 -0.28 1.62 -2.88 0.00 0.00 179.24 177.96 1ddb h VAL 170 N 0.45 0.31 -0.14 2.25 3.04 -1.10 0.37 116.25 121.43 1ddb h VAL 170 Ca 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 1ddb h VAL 170 Cb 0.82 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1ddb h VAL 170 CO -0.13 0.00 0.09 0.15 -1.01 0.00 0.00 177.57 176.67 1ddb h PHE 171 N -0.23 0.17 -0.92 3.17 3.57 -0.40 -1.98 116.94 120.32 1ddb h PHE 171 Ca 0.17 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.84 1ddb h PHE 171 Cb 0.50 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1ddb h PHE 171 CO -0.48 0.11 0.59 1.25 -2.23 0.00 0.00 178.31 177.55 1ddb h HIS 172 N 0.18 0.82 -0.24 0.41 2.76 -0.83 -0.55 115.15 117.70 1ddb h HIS 172 Ca 0.05 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 1ddb h HIS 172 Cb -0.02 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.63 1ddb h HIS 172 CO -0.07 0.27 -0.13 1.15 -1.30 0.00 0.00 177.93 177.85 1ddb h THR 173 N 0.66 0.60 0.10 6.26 2.02 0.47 2.42 112.91 125.45 1ddb h THR 173 Ca 0.48 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 1ddb h THR 173 Cb 0.83 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1ddb h THR 173 CO -0.23 0.00 -0.07 0.71 0.37 0.00 0.00 175.52 176.30 1ddb h THR 174 N -0.10 0.00 0.00 3.16 1.35 -0.99 -1.76 112.91 114.57 1ddb h THR 174 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1ddb h THR 174 Cb 0.30 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.72 1ddb h THR 174 CO -0.31 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.48 1ddb n VAL 175 N -2.62 0.00 0.01 6.82 0.31 -0.99 -3.37 118.33 118.49 1ddb n VAL 175 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1ddb n VAL 175 Cb 0.07 -0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.13 -0.11 0.33 4.52 7.08 0.51 -2.37 115.58 125.66 1ddb h ASN 176 Ca 0.00 -0.28 -0.02 0.00 -3.08 0.00 0.00 56.30 52.92 1ddb h ASN 176 Cb 0.19 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 1ddb h ASN 176 CO 0.00 0.49 -0.16 -0.26 -2.08 0.00 0.00 177.43 175.42 1ddb h PHE 177 N -0.99 -0.41 -0.43 4.14 -1.00 -1.56 0.52 116.94 117.22 1ddb h PHE 177 Ca -0.01 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 60.84 1ddb h PHE 177 Cb 0.38 0.13 -0.08 0.00 3.61 0.00 0.00 35.95 40.00 1ddb h PHE 177 CO 0.08 -0.15 -0.12 0.82 -1.61 0.00 0.00 178.31 177.32 1ddb h ILE 178 N -0.61 0.54 -0.98 -0.55 2.04 -1.73 8.04 117.51 124.26 1ddb h ILE 178 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1ddb h ILE 178 Cb 0.44 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1ddb h ILE 178 CO 0.07 0.00 0.64 -1.13 0.00 0.00 0.00 178.15 177.73 1ddb h ASN 179 N -0.02 1.05 -0.03 1.72 -0.73 -1.32 0.67 115.58 116.92 1ddb h ASN 179 Ca 0.21 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1ddb h ASN 179 Cb 0.34 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1ddb h ASN 179 CO -0.46 0.71 0.00 0.00 -0.37 0.00 0.00 177.43 177.32 1ddb n GLN 180 N -4.45 1.92 0.00 6.67 1.13 0.67 -4.75 117.38 118.57 1ddb n GLN 180 Ca 0.14 -1.34 0.00 0.00 -1.94 0.00 0.00 57.00 53.86 1ddb n GLN 180 Cb 0.12 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ddb n ASN 181 N 0.63 0.00 -2.70 1.08 5.15 2.54 -4.96 115.26 117.00 1ddb n ASN 181 Ca 0.17 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.81 1ddb n ASN 181 Cb 0.45 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.70 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 0.00 7.12 -0.82 1.20 7.99 -1.25 -4.94 117.00 126.29 1ddb n LEU 182 Ca 0.00 -4.48 0.00 0.00 -0.01 0.00 0.00 56.01 51.52 1ddb n LEU 182 Cb 0.00 -1.13 0.00 0.00 -0.11 0.00 0.00 43.42 42.18 1ddb n LEU 182 CO 0.00 1.72 -0.03 0.33 -1.51 0.00 0.00 177.39 177.90 1ddb n PHE 183 N -0.01 0.00 -2.40 -1.77 7.35 -1.08 -4.05 117.46 115.50 1ddb n PHE 183 Ca 0.52 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1ddb n PHE 183 Cb 0.38 -0.23 -0.00 0.00 0.35 0.00 0.00 39.48 39.98 1ddb n PHE 183 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ddb n SER 184 N 1.38 -6.19 -0.33 -2.13 7.64 -1.26 -4.53 113.62 108.20 1ddb n SER 184 Ca 0.00 1.07 -0.05 0.00 1.01 0.00 0.00 58.87 60.89 1ddb n SER 184 Cb 0.03 -4.23 -0.01 0.00 -1.01 0.00 0.00 64.21 59.00 1ddb n SER 184 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ddb h TYR 185 N 2.31 -1.31 -1.04 1.43 3.20 -1.95 1.30 116.97 120.90 1ddb h TYR 185 Ca -0.02 0.10 0.28 0.00 3.14 0.00 0.00 58.73 62.23 1ddb h TYR 185 Cb 0.05 0.69 -0.12 0.00 1.54 0.00 0.00 36.73 38.90 1ddb h TYR 185 CO 0.01 -0.40 0.64 0.28 -1.64 0.00 0.00 178.16 177.05 1ddb h VAL 186 N -0.07 0.47 -0.64 1.81 2.07 -1.90 0.57 116.25 118.56 1ddb h VAL 186 Ca 0.25 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1ddb h VAL 186 Cb 0.54 -0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 1ddb h VAL 186 CO -0.88 0.08 0.27 -0.09 0.02 0.00 0.00 177.57 176.97 1ddb h ARG 187 N 0.43 0.46 -0.46 1.57 1.12 0.15 0.22 114.38 117.87 1ddb h ARG 187 Ca 0.65 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.46 1ddb h ARG 187 Cb 1.50 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.34 1ddb h ARG 187 CO -0.41 0.30 0.15 -0.97 -3.11 0.00 0.00 179.97 175.94 1ddb h ASN 188 N 0.47 0.66 0.10 -3.80 -0.00 0.41 0.41 115.58 113.83 1ddb h ASN 188 Ca 0.32 -0.20 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 1ddb h ASN 188 Cb 0.38 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 1ddb h ASN 188 CO -0.29 0.68 -0.22 0.25 -0.00 0.00 0.00 177.43 177.84 1ddb h LEU 189 N 0.60 -0.63 -0.63 0.34 5.85 -0.37 0.34 115.31 120.81 1ddb h LEU 189 Ca 0.15 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ddb h LEU 189 Cb 0.25 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1ddb h LEU 189 CO -0.01 -0.31 0.38 -0.37 -0.34 0.00 0.00 178.44 177.80 1ddb h VAL 190 N -0.41 1.19 -0.55 1.05 -1.51 -0.45 -1.83 116.25 113.73 1ddb h VAL 190 Ca 0.03 -0.42 0.08 0.00 -1.23 0.00 0.00 66.70 65.16 1ddb h VAL 190 Cb 0.44 0.32 -0.06 0.00 -2.13 0.00 0.00 31.29 29.86 1ddb h VAL 190 CO -0.14 0.19 0.21 -0.09 -1.23 0.00 0.00 177.57 176.52 1ddb h ARG 191 N 0.86 0.39 -0.25 5.19 2.43 0.54 -1.57 114.38 121.97 1ddb h ARG 191 Ca 0.23 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1ddb h ARG 191 Cb -0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1ddb h ARG 191 CO -0.04 0.26 0.09 -0.97 -1.51 0.00 0.00 179.97 177.80 1ddb h ASN 192 N 0.40 0.11 -4.00 -3.80 -1.24 0.20 -3.42 115.58 103.84 1ddb h ASN 192 Ca 0.27 0.02 -0.48 0.00 0.71 0.00 0.00 56.30 56.82 1ddb h ASN 192 Cb 0.30 0.01 0.03 0.00 0.73 0.00 0.00 38.32 39.38 1ddb h ASN 192 CO -0.26 0.10 0.42 -0.70 -1.29 0.00 0.00 177.43 175.69 1ddb s GLU 193 N -6.17 3.98 0.32 6.67 2.12 -0.59 -4.80 118.70 120.22 1ddb s GLU 193 Ca -0.13 1.52 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1ddb s GLU 193 Cb 0.10 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1ddb s GLU 193 CO 0.70 -0.31 0.00 -0.12 -0.54 0.00 0.00 175.26 174.99 1ddb n MET 194 N -0.40 -2.69 0.00 4.30 1.56 -1.26 -4.85 117.12 113.77 1ddb n MET 194 Ca 0.07 2.02 0.02 0.00 -0.27 0.00 0.00 57.70 59.54 1ddb n MET 194 Cb 0.50 -2.30 0.02 0.00 2.15 0.00 0.00 33.22 33.59 1ddb n MET 194 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84