#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 -0.03 0.00 3.17 1.11 -1.26 -5.19 116.67 114.48 1ddb s ASP 2 Ca 0.00 0.01 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1ddb s ASP 2 Cb 0.00 0.02 0.00 0.00 1.07 0.00 0.00 42.92 44.01 1ddb s ASP 2 CO 0.00 -0.04 0.00 -0.24 1.18 0.00 0.00 175.17 176.07 1ddb n SER 3 N 0.22 0.00 -3.64 0.27 2.88 -1.26 -5.19 113.62 106.90 1ddb n SER 3 Ca 0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.55 1ddb n SER 3 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1ddb n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1ddb s GLU 4 N -2.00 0.07 -0.19 -1.46 4.04 -1.26 -5.18 118.70 112.72 1ddb s GLU 4 Ca 0.00 -0.00 -0.30 0.00 0.04 0.00 0.00 54.97 54.71 1ddb s GLU 4 Cb 0.00 0.03 0.15 0.00 0.02 0.00 0.00 34.13 34.33 1ddb s GLU 4 CO 0.00 -0.03 1.10 0.54 -1.84 0.00 0.00 175.26 175.04 1ddb s VAL 5 N -1.52 0.00 0.00 1.83 0.11 -1.26 -5.19 120.40 114.38 1ddb s VAL 5 Ca 0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1ddb s VAL 5 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1ddb s VAL 5 CO -0.05 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.48 1ddb n SER 6 N 0.61 0.00 0.00 3.54 2.88 -1.26 -5.19 113.62 114.20 1ddb n SER 6 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ddb n SER 6 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1ddb n SER 6 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ddb n ASN 7 N 0.00 0.00 0.00 -3.46 6.94 -1.26 -5.18 115.26 112.30 1ddb n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ddb n ASN 7 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ddb n GLY 8 N -0.15 3.77 3.26 4.83 0.00 -1.26 -5.19 105.19 110.45 1ddb n GLY 8 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 9 N 0.00 -0.09 0.00 1.61 1.04 -1.26 -5.16 113.70 109.84 1ddb s SER 9 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1ddb s SER 9 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ddb s SER 9 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1ddb n GLY 10 N 0.05 2.60 3.61 7.32 0.00 -1.26 -5.16 105.19 112.35 1ddb n GLY 10 Ca -0.16 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1ddb n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddb s LEU 11 N 0.00 -0.16 0.00 0.99 0.20 -1.26 -5.18 118.68 113.27 1ddb s LEU 11 Ca 0.00 0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.92 1ddb s LEU 11 Cb 0.00 1.39 0.00 0.00 -0.43 0.00 0.00 46.19 47.15 1ddb s LEU 11 CO 0.00 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 1ddb n GLY 12 N 0.29 4.51 0.12 7.98 0.00 -1.26 -4.89 105.19 111.93 1ddb n GLY 12 Ca -0.02 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.83 0.92 -1.17 4.61 0.00 -1.26 -4.51 120.51 117.27 1ddb n ALA 13 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 1ddb n ALA 13 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -4.16 1.72 -0.17 0.00 2.85 -1.26 -4.60 118.16 112.54 1ddb n LYS 14 Ca -0.38 -1.89 -0.08 0.00 -1.05 0.00 0.00 58.31 54.92 1ddb n LYS 14 Cb 0.81 -2.91 0.01 0.00 -0.65 0.00 0.00 35.03 32.29 1ddb n LYS 14 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1ddb h HIS 15 N 7.51 0.74 -0.97 5.58 2.76 -1.99 -2.20 115.15 126.59 1ddb h HIS 15 Ca 0.45 -0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.68 1ddb h HIS 15 Cb 0.61 -0.22 -0.08 0.00 1.55 0.00 0.00 27.41 29.27 1ddb h HIS 15 CO 1.34 0.60 0.60 0.82 -1.30 0.00 0.00 177.93 180.00 1ddb h ILE 16 N 0.66 0.94 0.00 6.26 1.08 -1.96 0.46 117.51 124.95 1ddb h ILE 16 Ca 0.17 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1ddb h ILE 16 Cb 0.16 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1ddb h ILE 16 CO -0.02 0.18 0.00 0.41 -0.69 0.00 0.00 178.15 178.03 1ddb n THR 17 N -4.63 0.00 -0.29 -0.27 -1.04 -0.85 -0.74 114.28 106.46 1ddb n THR 17 Ca 0.17 1.25 0.24 0.00 -2.04 0.00 0.00 64.05 63.67 1ddb n THR 17 Cb 0.31 -2.13 0.56 0.00 -1.82 0.00 0.00 70.33 67.25 1ddb n THR 17 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1ddb h ASP 18 N 0.00 0.34 -0.49 8.00 3.04 -1.40 1.22 116.42 127.14 1ddb h ASP 18 Ca 0.00 0.06 0.06 0.00 -3.24 0.00 0.00 57.03 53.90 1ddb h ASP 18 Cb 0.00 -0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 1ddb h ASP 18 CO 0.00 0.09 0.33 0.25 -2.04 0.00 0.00 179.24 177.86 1ddb h LEU 19 N 0.31 0.39 -0.43 0.15 5.85 0.31 0.23 115.31 122.12 1ddb h LEU 19 Ca 0.55 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.21 1ddb h LEU 19 Cb 1.54 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1ddb h LEU 19 CO -0.21 0.26 0.05 0.25 -0.34 0.00 0.00 178.44 178.45 1ddb h LEU 20 N 0.44 0.71 0.61 2.25 7.12 0.37 2.55 115.31 129.36 1ddb h LEU 20 Ca 0.21 -0.28 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 1ddb h LEU 20 Cb 0.27 -0.19 0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1ddb h LEU 20 CO -0.05 0.81 -0.29 1.62 -0.13 0.00 0.00 178.44 180.39 1ddb h VAL 21 N 0.59 0.00 -0.06 1.05 3.04 -0.89 1.10 116.25 121.07 1ddb h VAL 21 Ca 0.13 -0.11 -0.05 0.00 -1.01 0.00 0.00 66.70 65.66 1ddb h VAL 21 Cb 0.42 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1ddb h VAL 21 CO 0.01 0.00 -0.20 0.15 -1.01 0.00 0.00 177.57 176.53 1ddb h PHE 22 N -0.93 0.11 -0.19 3.17 3.04 -1.06 -2.67 116.94 118.42 1ddb h PHE 22 Ca -0.08 -0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.69 1ddb h PHE 22 Cb 0.63 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1ddb h PHE 22 CO 0.06 0.30 -0.53 0.78 -2.02 0.00 0.00 178.31 176.90 1ddb h GLY 23 N 0.73 0.76 0.39 2.40 0.00 0.45 -2.86 103.07 104.94 1ddb h GLY 23 Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.43 1ddb h GLY 23 CO 0.03 0.86 -0.19 -2.75 0.00 0.00 0.00 176.54 174.50 1ddb h PHE 24 N 0.39 -0.48 -0.75 5.60 3.04 0.16 -0.82 116.94 124.08 1ddb h PHE 24 Ca -0.01 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.03 1ddb h PHE 24 Cb 1.15 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.83 1ddb h PHE 24 CO 0.09 -0.26 0.42 1.25 -2.02 0.00 0.00 178.31 177.79 1ddb h LEU 25 N -0.23 0.62 -1.34 0.59 5.85 -1.57 0.29 115.31 119.52 1ddb h LEU 25 Ca 0.10 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1ddb h LEU 25 Cb 0.38 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1ddb h LEU 25 CO -0.27 0.39 0.53 -0.61 -0.34 0.00 0.00 178.44 178.14 1ddb h GLN 26 N 0.76 0.68 0.77 1.25 4.15 -1.01 -2.57 115.11 119.14 1ddb h GLN 26 Ca 0.34 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 1ddb h GLN 26 Cb 0.24 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.79 1ddb h GLN 26 CO -0.20 0.45 -0.37 0.77 -1.93 0.00 0.00 178.83 177.55 1ddb h SER 27 N 0.70 -0.88 0.00 -0.69 0.02 0.39 -3.47 113.55 109.63 1ddb h SER 27 Ca 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1ddb h SER 27 Cb 0.54 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1ddb h SER 27 CO -0.16 -0.62 0.00 -1.20 -1.14 0.00 0.00 176.83 173.71 1ddb n SER 28 N -4.82 0.00 0.00 3.07 7.64 -0.97 -4.84 113.62 113.70 1ddb n SER 28 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1ddb n SER 28 Cb 0.41 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.07 0.14 0.00 0.23 0.00 -1.21 -4.42 105.19 101.00 1ddb n GLY 29 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.96 0.00 0.19 0.00 -1.32 -1.26 -4.98 115.64 110.23 1ddb s THR 31 Ca 0.00 -1.91 -0.19 0.00 -1.21 0.00 0.00 61.69 58.38 1ddb s THR 31 Cb 0.00 -2.51 0.13 0.00 -1.51 0.00 0.00 72.50 68.62 1ddb s THR 31 CO 0.00 0.00 1.60 0.08 -2.21 0.00 0.00 174.62 174.09 1ddb h ARG 32 N 2.28 -0.14 -0.99 7.08 0.11 -1.95 0.75 114.38 121.52 1ddb h ARG 32 Ca -0.29 0.01 0.27 0.00 0.10 0.00 0.00 59.98 60.07 1ddb h ARG 32 Cb 1.24 0.03 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 1ddb h ARG 32 CO 0.42 -0.09 0.69 1.96 0.10 0.00 0.00 179.97 183.04 1ddb h GLN 33 N -0.15 0.14 0.21 0.08 1.08 -2.00 0.25 115.11 114.71 1ddb h GLN 33 Ca 0.23 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1ddb h GLN 33 Cb 0.52 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1ddb h GLN 33 CO -0.62 0.09 -0.10 1.49 -0.95 0.00 0.00 178.83 178.74 1ddb h GLU 34 N 0.14 -0.27 -1.14 1.46 4.57 0.11 -2.61 114.58 116.85 1ddb h GLU 34 Ca 0.50 0.02 0.35 0.00 -1.18 0.00 0.00 59.36 59.05 1ddb h GLU 34 Cb 1.70 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 30.23 1ddb h GLU 34 CO -0.09 0.08 0.71 -0.07 -1.18 0.00 0.00 179.01 178.47 1ddb h LEU 35 N -0.66 0.38 -0.04 1.64 4.07 -0.16 0.79 115.31 121.33 1ddb h LEU 35 Ca -0.03 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1ddb h LEU 35 Cb 0.47 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1ddb h LEU 35 CO 0.05 -0.09 0.00 -0.08 -1.08 0.00 0.00 178.44 177.24 1ddb h GLU 36 N 0.25 0.06 0.78 1.13 4.81 -1.27 4.20 114.58 124.54 1ddb h GLU 36 Ca 0.73 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.90 1ddb h GLU 36 Cb 1.99 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.37 1ddb h GLU 36 CO -0.44 0.33 -0.37 0.28 -0.73 0.00 0.00 179.01 178.08 1ddb h VAL 37 N -0.21 0.00 -0.30 0.32 2.07 0.62 0.36 116.25 119.11 1ddb h VAL 37 Ca 0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ddb h VAL 37 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1ddb h VAL 37 CO 0.00 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.58 1ddb h LEU 38 N -1.23 0.47 -0.75 2.57 3.38 0.13 -2.89 115.31 116.99 1ddb h LEU 38 Ca -0.11 -0.25 0.16 0.00 0.09 0.00 0.00 57.88 57.77 1ddb h LEU 38 Cb 0.80 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1ddb h LEU 38 CO 0.18 0.60 0.22 1.23 0.09 0.00 0.00 178.44 180.76 1ddb h GLY 39 N 0.31 1.09 -7.38 0.83 0.00 0.82 -3.38 103.07 95.36 1ddb h GLY 39 Ca 0.09 -0.07 -0.46 0.00 0.00 0.00 0.00 47.33 46.89 1ddb h GLY 39 CO 0.00 -0.18 1.63 -2.13 0.00 0.00 0.00 176.54 175.87 1ddb n ARG 40 N -5.11 0.64 -3.99 4.80 0.63 0.11 -4.88 116.66 108.87 1ddb n ARG 40 Ca 0.15 -0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.91 1ddb n ARG 40 Cb 0.46 -2.74 -0.14 0.00 0.45 0.00 0.00 32.46 30.49 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ddb s GLU 41 N 8.54 0.22 -0.08 -0.14 2.02 -1.26 -4.95 118.70 123.05 1ddb s GLU 41 Ca 1.12 -0.19 -0.07 0.00 0.02 0.00 0.00 54.97 55.85 1ddb s GLU 41 Cb -0.56 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1ddb s GLU 41 CO 0.34 0.04 0.19 -0.51 0.02 0.00 0.00 175.26 175.33 1ddb s LEU 42 N -0.33 4.39 -1.17 1.80 2.01 -1.26 -4.98 118.68 119.14 1ddb s LEU 42 Ca -0.02 0.51 -0.07 0.00 0.01 0.00 0.00 54.13 54.55 1ddb s LEU 42 Cb -0.03 -2.27 -0.07 0.00 0.01 0.00 0.00 46.19 43.83 1ddb s LEU 42 CO -0.00 0.36 2.49 -0.81 1.01 0.00 0.00 176.35 179.40 1ddb n PRO 43 N 1.70 2.73 0.00 1.29 -0.04 -1.26 -4.90 135.00 134.52 1ddb n PRO 43 Ca -0.17 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 1ddb n PRO 43 Cb 0.54 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1ddb n PRO 43 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ddb n VAL 44 N 3.89 0.00 0.00 0.52 3.14 -1.26 -5.07 118.33 119.55 1ddb n VAL 44 Ca 0.58 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.96 1ddb n VAL 44 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddb n GLN 45 N -0.57 0.00 -4.33 1.45 6.02 -1.26 -5.18 117.38 113.51 1ddb n GLN 45 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1ddb n GLN 45 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb s ALA 46 N 0.00 1.88 0.03 -1.58 0.00 -1.26 -5.05 121.76 115.78 1ddb s ALA 46 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 1ddb s ALA 46 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1ddb s ALA 46 CO 0.00 -0.01 0.73 0.98 0.00 0.00 0.00 175.76 177.46 1ddb n TYR 47 N -0.35 -0.09 -0.88 0.00 9.36 -1.26 -4.91 117.16 119.02 1ddb n TYR 47 Ca -0.08 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1ddb n TYR 47 Cb 0.61 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ddb n TRP 48 N -3.36 0.00 -3.56 2.98 7.02 -1.26 -5.18 117.44 114.08 1ddb n TRP 48 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1ddb n TRP 48 Cb 0.06 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1ddb n TRP 48 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1ddb n GLU 49 N -0.89 0.26 0.00 -0.99 -0.58 -1.26 -5.19 120.64 112.00 1ddb n GLU 49 Ca 0.00 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 1ddb n GLU 49 Cb 0.00 0.84 0.00 0.00 -0.57 0.00 0.00 31.44 31.71 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddb n ALA 50 N -2.28 0.00 -3.58 0.62 0.00 -1.26 -5.19 120.51 108.82 1ddb n ALA 50 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1ddb n ALA 50 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 1ddb n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ddb s ASP 51 N 0.00 -0.03 0.00 0.00 -4.77 -1.26 -5.19 116.67 105.43 1ddb s ASP 51 Ca 0.00 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 1ddb s ASP 51 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 1ddb s ASP 51 CO 0.00 -0.12 0.00 -0.11 0.70 0.00 0.00 175.17 175.64 1ddb n LEU 52 N -0.46 0.00 0.09 2.11 7.94 -1.26 -5.09 117.00 120.33 1ddb n LEU 52 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1ddb n LEU 52 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1ddb n LEU 52 CO 0.11 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.55 1ddb n GLU 53 N -0.08 0.00 -0.84 1.96 0.28 -1.26 -5.17 120.64 115.54 1ddb n GLU 53 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 1ddb n GLU 53 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 1ddb n GLU 53 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ddb n ASP 54 N -2.99 -4.62 0.00 -1.84 9.92 -1.26 -5.09 116.55 110.67 1ddb n ASP 54 Ca 0.00 0.80 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 1ddb n ASP 54 Cb 0.00 -2.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.63 1ddb n ASP 54 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ddb n GLU 55 N -3.39 0.00 -4.03 -1.24 2.13 -1.26 -5.19 120.64 107.66 1ddb n GLU 55 Ca -0.05 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.67 1ddb n GLU 55 Cb 0.40 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.03 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1ddb s LEU 56 N 0.00 1.19 -0.30 4.31 0.05 -1.26 -5.16 118.68 117.52 1ddb s LEU 56 Ca 0.00 -1.00 -0.17 0.00 0.05 0.00 0.00 54.13 53.01 1ddb s LEU 56 Cb 0.00 0.90 0.18 0.00 -2.05 0.00 0.00 46.19 45.23 1ddb s LEU 56 CO 0.00 -0.85 1.15 -1.58 -0.55 0.00 0.00 176.35 174.52 1ddb s GLN 57 N -4.00 0.15 0.07 1.48 0.74 -1.26 -5.18 119.66 111.66 1ddb s GLN 57 Ca 0.20 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.97 1ddb s GLN 57 Cb 0.05 0.22 0.02 0.00 1.10 0.00 0.00 33.01 34.39 1ddb s GLN 57 CO 0.01 -0.06 0.10 0.25 -0.55 0.00 0.00 175.29 175.05 1ddb n THR 58 N 4.78 0.00 0.00 -0.34 -2.24 -1.26 -5.12 114.28 110.10 1ddb n THR 58 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ddb n THR 58 Cb 0.54 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1ddb n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ddb n ASP 59 N -3.03 0.00 0.00 3.42 8.00 -1.26 -5.20 116.55 118.49 1ddb n ASP 59 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ddb n ASP 59 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddb n GLY 60 N -0.65 1.17 1.35 0.44 0.00 -1.26 -5.11 105.19 101.12 1ddb n GLY 60 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1ddb n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 61 N 0.00 0.00 -3.29 1.61 7.64 -1.26 -5.13 113.62 113.19 1ddb n SER 61 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1ddb n SER 61 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ddb n SER 61 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ddb s GLN 62 N -0.76 0.17 0.00 1.43 -0.44 -1.26 -5.08 119.66 113.73 1ddb s GLN 62 Ca 0.00 0.43 0.00 0.00 -2.50 0.00 0.00 55.36 53.29 1ddb s GLN 62 Cb 0.00 0.26 0.00 0.00 -1.64 0.00 0.00 33.01 31.63 1ddb s GLN 62 CO 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 175.29 175.72 1ddb n ALA 63 N 4.83 0.00 -3.90 1.58 0.00 -1.26 -5.03 120.51 116.73 1ddb n ALA 63 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1ddb n ALA 63 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1ddb n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ddb n SER 64 N -1.89 -4.86 -3.52 0.00 3.41 -1.26 -4.94 113.62 100.56 1ddb n SER 64 Ca 0.00 -0.77 -0.29 0.00 -0.26 0.00 0.00 58.87 57.55 1ddb n SER 64 Cb 0.00 -3.94 -0.13 0.00 -0.26 0.00 0.00 64.21 59.88 1ddb n SER 64 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ddb s ARG 65 N -6.60 0.54 0.00 4.33 0.52 -1.26 -5.08 118.95 111.40 1ddb s ARG 65 Ca 0.65 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1ddb s ARG 65 Cb -0.33 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1ddb s ARG 65 CO 0.83 -1.15 0.00 0.43 0.02 0.00 0.00 175.30 175.43 1ddb n SER 66 N 4.33 0.00 -3.42 0.23 7.64 -1.26 -5.19 113.62 115.95 1ddb n SER 66 Ca 0.07 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1ddb n SER 66 Cb 0.38 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1ddb n SER 66 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddb n PHE 67 N -1.25 0.27 -3.91 1.43 3.72 -1.26 -5.18 117.46 111.28 1ddb n PHE 67 Ca 0.00 -1.93 -0.08 0.00 -0.05 0.00 0.00 57.45 55.40 1ddb n PHE 67 Cb 0.00 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 1ddb n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ddb s ASN 68 N -2.91 -0.19 0.00 4.37 4.22 -1.26 -5.18 114.94 113.99 1ddb s ASN 68 Ca 0.12 -0.74 0.00 0.00 -2.14 0.00 0.00 52.86 50.10 1ddb s ASN 68 Cb 0.01 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.22 1ddb s ASN 68 CO 0.08 -1.29 0.00 0.00 -2.04 0.00 0.00 177.10 173.86 1ddb n GLN 69 N -0.44 0.00 0.00 3.55 1.13 -1.26 -5.16 117.38 115.21 1ddb n GLN 69 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1ddb n GLN 69 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ddb n GLY 70 N -0.70 1.37 2.95 1.08 0.00 -1.26 -5.12 105.19 103.51 1ddb n GLY 70 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1ddb n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddb s ARG 71 N -0.14 1.62 0.08 1.61 0.52 -1.26 -5.09 118.95 116.29 1ddb s ARG 71 Ca 0.00 -2.14 0.07 0.00 -0.52 0.00 0.00 55.73 53.13 1ddb s ARG 71 Cb 0.00 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1ddb s ARG 71 CO 0.00 -1.03 -0.11 0.96 0.02 0.00 0.00 175.30 175.15 1ddb s ILE 72 N 0.42 3.32 -0.39 1.52 -4.36 -1.26 -5.09 121.20 115.36 1ddb s ILE 72 Ca 0.14 -1.20 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1ddb s ILE 72 Cb -0.22 -2.52 0.16 0.00 1.25 0.00 0.00 42.46 41.13 1ddb s ILE 72 CO -0.05 0.17 0.38 -0.70 0.24 0.00 0.00 174.94 174.98 1ddb s GLU 73 N -2.01 0.71 0.93 0.37 -6.30 -1.26 -5.14 118.70 106.00 1ddb s GLU 73 Ca 0.20 -1.15 -0.13 0.00 -2.50 0.00 0.00 54.97 51.39 1ddb s GLU 73 Cb -0.11 -0.85 0.15 0.00 0.00 0.00 0.00 34.13 33.32 1ddb s GLU 73 CO 0.12 -1.24 1.15 -1.25 0.02 0.00 0.00 175.26 174.05 1ddb s PRO 74 N 1.10 0.98 -0.30 4.30 0.04 -1.26 -5.09 135.00 134.77 1ddb s PRO 74 Ca 0.21 0.23 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 1ddb s PRO 74 Cb -0.12 -1.83 0.21 0.00 0.04 0.00 0.00 34.50 32.81 1ddb s PRO 74 CO -0.05 -2.30 1.36 0.34 0.04 0.00 0.00 177.00 176.39 1ddb s ASP 75 N -4.08 -0.02 0.00 6.66 -1.08 -1.26 -5.18 116.67 111.72 1ddb s ASP 75 Ca 0.65 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 1ddb s ASP 75 Cb -0.14 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 41.99 1ddb s ASP 75 CO 0.53 -0.01 0.00 -1.54 0.52 0.00 0.00 175.17 174.68 1ddb n SER 76 N 2.50 0.00 -3.62 -0.34 3.41 -1.26 -5.19 113.62 109.13 1ddb n SER 76 Ca -0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.43 1ddb n SER 76 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1ddb n SER 76 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ddb s GLU 77 N -1.40 0.21 0.00 4.33 2.56 -1.26 -4.99 118.70 118.15 1ddb s GLU 77 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.97 54.93 1ddb s GLU 77 Cb 0.00 0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.23 1ddb s GLU 77 CO 0.00 -0.08 0.00 0.45 -0.56 0.00 0.00 175.26 175.07 1ddb n SER 78 N 0.16 0.00 -3.87 -1.70 2.88 -1.26 -5.02 113.62 104.81 1ddb n SER 78 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1ddb n SER 78 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1ddb n SER 78 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1ddb s GLN 79 N -2.00 1.54 0.00 -1.46 -0.21 -1.26 -4.13 119.66 112.14 1ddb s GLN 79 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1ddb s GLN 79 Cb 0.00 0.52 0.00 0.00 1.00 0.00 0.00 33.01 34.53 1ddb s GLN 79 CO 0.00 -0.66 0.00 0.39 -2.12 0.00 0.00 175.29 172.90 1ddb n GLU 80 N -0.38 -1.92 0.21 2.91 1.02 -1.26 -4.94 120.64 116.27 1ddb n GLU 80 Ca -0.05 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.23 1ddb n GLU 80 Cb 0.61 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.69 1ddb n GLU 80 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ddb h GLU 81 N 0.00 0.00 0.00 3.49 9.09 -2.04 -1.32 114.58 123.80 1ddb h GLU 81 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ddb h GLU 81 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ddb h GLU 81 CO 0.00 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.50 1ddb n ILE 82 N -2.60 1.11 -0.17 -1.06 -5.35 -1.26 -2.82 119.36 107.21 1ddb n ILE 82 Ca 0.00 0.28 -0.01 0.00 -0.27 0.00 0.00 62.75 62.75 1ddb n ILE 82 Cb 0.20 -1.08 0.07 0.00 -1.74 0.00 0.00 39.64 37.08 1ddb n ILE 82 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1ddb h ILE 83 N 0.00 0.56 -0.23 7.28 2.10 -1.63 0.25 117.51 125.84 1ddb h ILE 83 Ca 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 65.89 1ddb h ILE 83 Cb 0.18 0.44 -0.01 0.00 -1.09 0.00 0.00 36.82 36.34 1ddb h ILE 83 CO 0.00 0.02 0.11 0.45 -1.08 0.00 0.00 178.15 177.65 1ddb h HIS 84 N 0.11 0.34 -0.87 2.19 3.86 -1.78 -1.93 115.15 117.08 1ddb h HIS 84 Ca 0.27 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.63 1ddb h HIS 84 Cb 0.42 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.69 1ddb h HIS 84 CO -0.34 0.34 0.45 -0.91 0.86 0.00 0.00 177.93 178.33 1ddb h ASN 85 N 0.25 0.53 -0.89 2.45 4.21 -1.24 0.37 115.58 121.24 1ddb h ASN 85 Ca 0.08 0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 1ddb h ASN 85 Cb 0.12 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 1ddb h ASN 85 CO -0.01 0.20 0.50 -0.29 -1.29 0.00 0.00 177.43 176.54 1ddb h ILE 86 N 0.61 1.26 -0.61 2.81 6.09 -0.04 -1.71 117.51 125.92 1ddb h ILE 86 Ca 0.48 -0.63 0.12 0.00 -1.37 0.00 0.00 64.86 63.47 1ddb h ILE 86 Cb 0.72 0.04 -0.10 0.00 0.47 0.00 0.00 36.82 37.95 1ddb h ILE 86 CO -0.38 0.29 0.05 0.00 -3.07 0.00 0.00 178.15 175.04 1ddb h ALA 87 N 1.29 0.65 -0.44 0.18 0.00 0.48 0.22 119.26 121.62 1ddb h ALA 87 Ca 0.32 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 1ddb h ALA 87 Cb 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ddb h ALA 87 CO -0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 179.25 178.76 1ddb h ARG 88 N 0.17 0.77 -0.31 0.00 3.08 -0.98 -1.99 114.38 115.13 1ddb h ARG 88 Ca 0.32 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 60.22 1ddb h ARG 88 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1ddb h ARG 88 CO -0.48 0.83 0.36 1.25 -1.07 0.00 0.00 179.97 180.86 1ddb h HIS 89 N 0.71 0.00 0.37 3.04 2.76 0.28 -1.75 115.15 120.56 1ddb h HIS 89 Ca 0.13 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1ddb h HIS 89 Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1ddb h HIS 89 CO 0.03 0.00 -0.33 1.25 -1.30 0.00 0.00 177.93 177.58 1ddb h LEU 90 N 0.00 -0.90 0.29 0.26 5.85 -0.67 0.69 115.31 120.83 1ddb h LEU 90 Ca 0.14 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ddb h LEU 90 Cb 0.86 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1ddb h LEU 90 CO -0.00 -0.45 -0.34 0.00 -0.34 0.00 0.00 178.44 177.31 1ddb h ALA 91 N -1.24 -0.69 -1.09 1.25 0.00 -1.48 -0.14 119.26 115.87 1ddb h ALA 91 Ca -0.05 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.07 1ddb h ALA 91 Cb 0.59 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1ddb h ALA 91 CO -0.02 -0.93 0.76 0.37 0.00 0.00 0.00 179.25 179.43 1ddb h GLN 92 N -0.67 0.11 -0.05 0.00 4.15 -1.33 1.63 115.11 118.95 1ddb h GLN 92 Ca -0.01 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 1ddb h GLN 92 Cb 0.62 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1ddb h GLN 92 CO -0.09 0.07 -0.52 0.82 -1.93 0.00 0.00 178.83 177.18 1ddb h ILE 93 N 0.11 1.36 0.24 2.39 1.08 0.22 -2.40 117.51 120.52 1ddb h ILE 93 Ca 0.55 -1.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 1ddb h ILE 93 Cb 1.94 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 1ddb h ILE 93 CO -0.09 0.52 -0.12 1.23 -0.69 0.00 0.00 178.15 179.01 1ddb h GLY 94 N 1.46 -0.34 0.90 5.37 0.00 0.33 1.72 103.07 112.51 1ddb h GLY 94 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ddb h GLY 94 CO 0.07 -0.12 -0.14 -1.80 0.00 0.00 0.00 176.54 174.55 1ddb h ASP 95 N -0.41 -0.35 -0.73 0.19 3.58 -1.44 -2.26 116.42 114.99 1ddb h ASP 95 Ca -0.03 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1ddb h ASP 95 Cb 0.31 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1ddb h ASP 95 CO 0.05 -0.22 0.34 -0.08 -2.88 0.00 0.00 179.24 176.46 1ddb h GLU 96 N -0.33 1.08 -0.92 0.28 4.81 -1.36 -2.44 114.58 115.70 1ddb h GLU 96 Ca -0.01 -0.16 0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1ddb h GLU 96 Cb 0.29 -0.19 -0.11 0.00 0.63 0.00 0.00 28.75 29.37 1ddb h GLU 96 CO 0.00 0.85 0.49 0.52 -0.73 0.00 0.00 179.01 180.14 1ddb h MET 97 N 1.07 0.59 -1.75 1.92 2.86 0.31 0.18 114.93 120.11 1ddb h MET 97 Ca 0.26 -0.04 0.51 0.00 -2.06 0.00 0.00 59.70 58.37 1ddb h MET 97 Cb 0.14 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1ddb h MET 97 CO -0.03 0.39 1.33 -3.47 1.06 0.00 0.00 176.91 176.19 1ddb n ASP 98 N -4.89 0.00 -0.24 1.22 2.03 -0.90 -0.61 116.55 113.17 1ddb n ASP 98 Ca 0.21 0.91 -0.06 0.00 0.52 0.00 0.00 54.79 56.37 1ddb n ASP 98 Cb 0.56 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1ddb n ASP 98 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ddb n HIS 99 N -3.72 -0.25 -3.40 -0.67 -0.00 0.63 -4.00 115.22 103.82 1ddb n HIS 99 Ca 0.39 0.71 -0.23 0.00 0.46 0.00 0.00 57.72 59.05 1ddb n HIS 99 Cb 1.85 -0.54 -0.10 0.00 -0.12 0.00 0.00 29.99 31.09 1ddb n HIS 99 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ddb s ASN 100 N -4.46 1.97 -0.52 0.26 3.84 0.22 -5.05 114.94 111.20 1ddb s ASN 100 Ca -0.07 -1.92 0.04 0.00 0.21 0.00 0.00 52.86 51.12 1ddb s ASN 100 Cb 0.06 0.11 0.15 0.00 -0.55 0.00 0.00 41.25 41.02 1ddb s ASN 100 CO 0.35 -0.28 0.34 -0.51 -2.79 0.00 0.00 177.10 174.22 1ddb s ILE 101 N 1.21 1.69 0.00 -5.21 2.07 -1.23 -4.81 121.20 114.93 1ddb s ILE 101 Ca 0.18 -3.15 0.00 0.00 -1.41 0.00 0.00 60.65 56.27 1ddb s ILE 101 Cb -0.18 -2.15 0.00 0.00 0.13 0.00 0.00 42.46 40.26 1ddb s ILE 101 CO -0.01 -1.00 0.00 0.00 -1.91 0.00 0.00 174.94 172.02 1ddb n GLN 102 N 2.88 0.00 0.00 3.50 6.02 -1.26 -4.57 117.38 123.94 1ddb n GLN 102 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1ddb n GLN 102 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ddb n PRO 103 N 0.00 0.75 0.00 -1.09 -0.04 -1.26 -4.01 135.00 129.35 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.50 0.00 0.00 0.52 5.66 -1.26 -4.95 114.28 113.76 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddb n THR 104 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 7.94 -1.26 -5.03 117.00 119.74 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ddb n LEU 105 CO 0.00 0.00 0.08 0.52 -1.11 0.00 0.00 177.39 176.88 1ddb n VAL 106 N -0.04 0.00 -0.08 1.96 0.31 -1.26 -1.48 118.33 117.74 1ddb n VAL 106 Ca 0.00 0.42 0.24 0.00 -0.01 0.00 0.00 64.34 65.00 1ddb n VAL 106 Cb 0.00 -0.95 0.71 0.00 -0.91 0.00 0.00 33.84 32.68 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ddb h ARG 107 N 0.00 0.00 -0.14 5.55 2.43 -1.94 0.58 114.38 120.86 1ddb h ARG 107 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1ddb h ARG 107 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ddb h ARG 107 CO 0.00 0.00 -0.20 0.37 -1.51 0.00 0.00 179.97 178.63 1ddb h GLN 108 N 0.00 0.24 0.72 0.20 4.15 -1.83 -2.21 115.11 116.37 1ddb h GLN 108 Ca 0.33 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1ddb h GLN 108 Cb 1.34 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1ddb h GLN 108 CO -0.00 0.44 -0.34 1.37 -1.93 0.00 0.00 178.83 178.36 1ddb h LEU 109 N 0.22 -0.82 -0.64 -2.39 8.10 0.13 -0.43 115.31 119.48 1ddb h LEU 109 Ca 0.04 0.01 0.13 0.00 0.11 0.00 0.00 57.88 58.17 1ddb h LEU 109 Cb 0.49 0.21 -0.12 0.00 -0.44 0.00 0.00 40.66 40.81 1ddb h LEU 109 CO 0.03 -0.47 -0.09 0.00 -4.11 0.00 0.00 178.44 173.80 1ddb h ALA 110 N -1.06 0.51 0.00 0.17 0.00 -1.43 2.07 119.26 119.52 1ddb h ALA 110 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ddb h ALA 110 Cb 0.76 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ddb h ALA 110 CO 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1ddb h ALA 111 N 1.62 1.00 -0.29 0.00 0.00 -1.30 -2.22 119.26 118.06 1ddb h ALA 111 Ca 0.32 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1ddb h ALA 111 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ddb h ALA 111 CO -0.62 0.00 0.11 -0.56 0.00 0.00 0.00 179.25 178.18 1ddb h GLN 112 N 0.00 0.24 -0.60 0.00 3.07 0.51 -2.22 115.11 116.11 1ddb h GLN 112 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.65 1ddb h GLN 112 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 1ddb h GLN 112 CO 0.00 0.16 0.08 0.27 0.09 0.00 0.00 178.83 179.43 1ddb h PHE 113 N 0.24 1.04 -1.44 0.06 -5.15 -1.29 -3.43 116.94 106.97 1ddb h PHE 113 Ca 0.13 -0.14 -0.73 0.00 -0.20 0.00 0.00 57.97 57.04 1ddb h PHE 113 Cb 0.09 -0.29 0.01 0.00 0.22 0.00 0.00 35.95 35.98 1ddb h PHE 113 CO -0.13 0.89 1.00 -0.12 -2.00 0.00 0.00 178.31 177.95 1ddb n MET 114 N -4.22 1.14 0.00 6.09 1.56 -0.84 -4.93 117.12 115.92 1ddb n MET 114 Ca 0.04 0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.87 1ddb n MET 114 Cb 0.28 -2.15 0.00 0.00 2.15 0.00 0.00 33.22 33.50 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1ddb n ASN 115 N 6.16 0.26 -0.04 6.12 2.85 -1.26 -5.00 115.26 124.35 1ddb n ASN 115 Ca 0.30 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.71 1ddb n ASN 115 Cb 0.14 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.13 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 116 N 5.00 -0.11 2.66 8.20 0.00 -1.26 -4.92 105.19 114.77 1ddb n GLY 116 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.73 -2.44 -0.25 1.61 2.88 -1.26 -4.96 113.62 106.46 1ddb n SER 117 Ca -0.14 -3.21 -0.07 0.00 -1.33 0.00 0.00 58.87 54.13 1ddb n SER 117 Cb 0.64 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 65.50 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 1.64 -0.63 -3.18 2.46 -0.00 -1.26 -3.56 117.00 112.46 1ddb n LEU 118 Ca 0.11 1.35 -0.23 0.00 -0.00 0.00 0.00 56.01 57.24 1ddb n LEU 118 Cb 0.61 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.42 43.69 1ddb n LEU 118 CO 0.06 -1.01 -0.25 -1.20 -0.00 0.00 0.00 177.39 174.99 1ddb n SER 119 N -4.38 -0.28 0.00 1.96 7.64 -1.26 -4.90 113.62 112.39 1ddb n SER 119 Ca 0.01 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1ddb n SER 119 Cb 0.15 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.72 0.00 0.00 1.43 1.02 -1.23 -3.59 120.64 119.99 1ddb n GLU 120 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1ddb n GLU 120 Cb 0.53 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1ddb n GLU 120 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ddb n GLU 121 N -0.81 0.00 -2.64 3.49 0.28 -1.26 -5.00 120.64 114.69 1ddb n GLU 121 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 1ddb n GLU 121 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ddb n ASP 122 N 0.00 3.08 -4.48 -1.84 9.92 -1.24 -4.99 116.55 117.00 1ddb n ASP 122 Ca 0.00 -3.26 -0.44 0.00 -0.53 0.00 0.00 54.79 50.57 1ddb n ASP 122 Cb 0.00 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 1ddb n ASP 122 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ddb s LYS 123 N -3.28 3.89 0.00 -1.24 3.01 -1.26 -4.30 119.74 116.56 1ddb s LYS 123 Ca 0.39 -2.15 0.00 0.00 -1.01 0.00 0.00 55.97 53.20 1ddb s LYS 123 Cb 0.41 -5.11 0.00 0.00 -1.01 0.00 0.00 37.83 32.13 1ddb s LYS 123 CO -0.08 -1.87 0.00 0.54 0.51 0.00 0.00 175.35 174.45 1ddb n ARG 124 N 6.53 0.00 -0.09 1.68 1.74 -1.26 -4.83 116.66 120.42 1ddb n ARG 124 Ca 0.34 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.28 1ddb n ARG 124 Cb 0.46 -0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1ddb h ASN 125 N 0.00 0.97 -0.12 0.55 -1.24 -1.99 -2.75 115.58 111.00 1ddb h ASN 125 Ca 0.00 -0.48 0.04 0.00 0.71 0.00 0.00 56.30 56.57 1ddb h ASN 125 Cb 0.00 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 38.71 1ddb h ASN 125 CO 0.00 1.28 -0.39 0.00 -1.29 0.00 0.00 177.43 177.03 1ddb h LEU 127 N -0.47 -0.43 -1.94 0.00 -0.00 -1.87 0.18 115.31 110.78 1ddb h LEU 127 Ca 0.08 0.05 0.41 0.00 -0.00 0.00 0.00 57.88 58.41 1ddb h LEU 127 Cb 0.61 0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 41.37 1ddb h LEU 127 CO -0.38 -0.14 1.00 0.00 -0.00 0.00 0.00 178.44 178.92 1ddb h ALA 128 N -1.26 3.26 0.00 0.17 0.00 -1.17 3.43 119.26 123.69 1ddb h ALA 128 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ddb h ALA 128 Cb 0.20 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ddb h ALA 128 CO -0.08 -1.67 -0.11 -0.22 0.00 0.00 0.00 179.25 177.16 1ddb h LYS 129 N 0.03 0.00 -0.03 0.00 3.64 0.37 -2.31 116.57 118.26 1ddb h LYS 129 Ca 0.68 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 60.03 1ddb h LYS 129 Cb 2.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.46 1ddb h LYS 129 CO -0.04 0.11 -0.08 0.00 -2.27 0.00 0.00 179.45 177.16 1ddb h ALA 130 N 1.89 0.05 -0.94 5.00 0.00 0.71 -2.55 119.26 123.43 1ddb h ALA 130 Ca -0.00 -0.33 0.27 0.00 0.00 0.00 0.00 54.91 54.85 1ddb h ALA 130 Cb 0.26 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 1ddb h ALA 130 CO 0.01 -0.08 0.17 1.37 0.00 0.00 0.00 179.25 180.72 1ddb h LEU 131 N -0.44 -0.19 -0.51 0.00 8.10 -1.26 2.30 115.31 123.32 1ddb h LEU 131 Ca -0.00 0.24 -0.11 0.00 0.11 0.00 0.00 57.88 58.12 1ddb h LEU 131 Cb 0.69 0.37 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 1ddb h LEU 131 CO 0.02 -0.28 -0.12 -0.78 -4.11 0.00 0.00 178.44 173.16 1ddb h ASP 132 N 0.09 0.98 0.40 0.17 1.82 -1.50 -2.17 116.42 116.21 1ddb h ASP 132 Ca 0.61 -0.36 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1ddb h ASP 132 Cb 1.30 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1ddb h ASP 132 CO -0.79 1.11 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.43 1ddb h GLU 133 N 0.84 -0.52 -1.49 0.28 5.08 0.27 -0.13 114.58 118.91 1ddb h GLU 133 Ca 0.13 0.04 0.46 0.00 -1.00 0.00 0.00 59.36 58.98 1ddb h GLU 133 Cb 0.68 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1ddb h GLU 133 CO 0.05 -0.35 1.01 -0.24 -1.00 0.00 0.00 179.01 178.49 1ddb h VAL 134 N -0.86 0.13 -0.02 3.13 3.04 0.30 2.12 116.25 124.09 1ddb h VAL 134 Ca -0.06 -0.02 -0.19 0.00 -1.01 0.00 0.00 66.70 65.43 1ddb h VAL 134 Cb 0.41 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1ddb h VAL 134 CO 0.09 0.01 -0.72 0.07 -1.01 0.00 0.00 177.57 176.01 1ddb h LYS 135 N 0.06 0.53 -0.64 4.17 2.10 -1.28 1.22 116.57 122.72 1ddb h LYS 135 Ca 0.82 -0.54 0.18 0.00 -2.00 0.00 0.00 60.65 59.12 1ddb h LYS 135 Cb 2.86 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 34.31 1ddb h LYS 135 CO -0.25 1.17 0.53 1.79 -2.00 0.00 0.00 179.45 180.69 1ddb h THR 136 N 0.10 0.49 0.00 0.07 1.35 0.54 0.66 112.91 116.12 1ddb h THR 136 Ca -0.08 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.48 1ddb h THR 136 Cb 1.40 0.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.38 1ddb h THR 136 CO 0.14 0.00 -1.96 0.00 -0.25 0.00 0.00 175.52 173.45 1ddb n ALA 137 N -2.54 1.34 -3.38 6.62 0.00 -0.60 -4.77 120.51 117.18 1ddb n ALA 137 Ca 0.12 -0.91 -0.27 0.00 0.00 0.00 0.00 53.44 52.39 1ddb n ALA 137 Cb 0.77 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 20.30 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 -4.17 3.58 -0.97 0.00 -1.74 0.42 -5.08 117.46 109.50 1ddb n PHE 138 Ca -0.39 -4.13 -0.09 0.00 -0.56 0.00 0.00 57.45 52.29 1ddb n PHE 138 Cb 0.74 -0.55 0.07 0.00 1.52 0.00 0.00 39.48 41.26 1ddb n PHE 138 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1ddb n PRO 139 N 0.78 -1.00 0.00 3.97 -0.04 0.23 -3.27 135.00 135.66 1ddb n PRO 139 Ca 0.30 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1ddb n PRO 139 Cb 0.41 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 1ddb n PRO 139 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ddb n ARG 140 N -2.15 0.00 0.00 0.54 1.74 -1.26 -2.36 116.66 113.17 1ddb n ARG 140 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ddb n ARG 140 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ddb n ASP 141 N 0.00 0.00 -0.33 0.55 5.68 -1.26 -1.98 116.55 119.21 1ddb n ASP 141 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 54.79 54.58 1ddb n ASP 141 Cb 0.00 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.59 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1ddb h MET 142 N 0.00 0.21 0.14 0.11 1.85 -1.94 4.36 114.93 119.66 1ddb h MET 142 Ca 0.00 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1ddb h MET 142 Cb 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1ddb h MET 142 CO 0.00 0.14 -0.07 0.93 -0.40 0.00 0.00 176.91 177.52 1ddb h GLU 143 N 0.22 -0.18 0.29 0.39 5.08 -1.84 -3.03 114.58 115.53 1ddb h GLU 143 Ca 0.60 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 1ddb h GLU 143 Cb 1.87 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1ddb h GLU 143 CO -0.20 -0.12 -0.14 -0.97 -1.00 0.00 0.00 179.01 176.59 1ddb h ASN 144 N -0.38 -0.33 -0.74 1.42 -1.24 -1.01 0.19 115.58 113.49 1ddb h ASN 144 Ca -0.02 -0.08 0.13 0.00 0.71 0.00 0.00 56.30 57.04 1ddb h ASN 144 Cb 0.14 0.09 -0.13 0.00 0.73 0.00 0.00 38.32 39.15 1ddb h ASN 144 CO 0.03 0.14 -0.25 -0.67 -1.29 0.00 0.00 177.43 175.39 1ddb n ASP 145 N -5.04 -0.40 -0.00 1.15 -0.08 1.43 0.35 116.55 113.96 1ddb n ASP 145 Ca -0.06 1.29 -0.11 0.00 -1.51 0.00 0.00 54.79 54.40 1ddb n ASP 145 Cb 0.20 -0.33 0.03 0.00 2.34 0.00 0.00 41.12 43.36 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ddb h LYS 146 N 0.00 0.60 0.63 -0.67 1.63 -1.36 -2.19 116.57 115.20 1ddb h LYS 146 Ca 0.30 -0.39 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1ddb h LYS 146 Cb 0.48 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1ddb h LYS 146 CO -0.75 1.01 -0.30 0.00 -3.45 0.00 0.00 179.45 175.96 1ddb h ALA 147 N 0.90 -0.85 -0.62 5.00 0.00 0.82 -1.95 119.26 122.56 1ddb h ALA 147 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ddb h ALA 147 Cb 1.15 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 1ddb h ALA 147 CO 0.11 -0.90 0.10 0.00 0.00 0.00 0.00 179.25 178.56 1ddb h MET 148 N -1.00 0.21 -0.97 0.00 -0.00 0.47 0.25 114.93 113.89 1ddb h MET 148 Ca -0.09 -0.01 0.13 0.00 -0.00 0.00 0.00 59.70 59.73 1ddb h MET 148 Cb 0.69 -0.05 -0.08 0.00 -0.00 0.00 0.00 31.60 32.16 1ddb h MET 148 CO 0.14 0.14 0.61 -0.07 -0.00 0.00 0.00 176.91 177.73 1ddb h LEU 149 N 0.21 0.84 -1.65 -0.10 4.07 -1.29 0.43 115.31 117.84 1ddb h LEU 149 Ca 0.33 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.35 1ddb h LEU 149 Cb 0.52 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1ddb h LEU 149 CO -0.45 0.43 0.26 0.40 -1.08 0.00 0.00 178.44 178.00 1ddb h ILE 150 N 0.90 1.07 0.13 1.22 2.04 0.29 -2.40 117.51 120.76 1ddb h ILE 150 Ca 0.49 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 66.20 1ddb h ILE 150 Cb 0.58 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1ddb h ILE 150 CO -0.26 0.09 -0.24 0.24 0.00 0.00 0.00 178.15 177.98 1ddb h MET 151 N 0.48 -0.43 -0.12 2.37 2.86 0.37 0.45 114.93 120.91 1ddb h MET 151 Ca 0.15 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1ddb h MET 151 Cb 0.02 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1ddb h MET 151 CO -0.03 -0.29 -0.18 1.79 1.06 0.00 0.00 176.91 179.25 1ddb h THR 152 N -0.45 0.53 0.00 2.22 1.35 -1.34 -0.21 112.91 115.02 1ddb h THR 152 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.88 1ddb h THR 152 Cb 0.47 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1ddb h THR 152 CO -0.13 0.00 -0.03 -0.03 -0.25 0.00 0.00 175.52 175.08 1ddb h MET 153 N -0.24 0.00 0.20 4.72 -1.53 -1.19 -2.54 114.93 114.35 1ddb h MET 153 Ca 0.09 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.37 1ddb h MET 153 Cb 0.37 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 1ddb h MET 153 CO -0.26 0.03 -0.32 1.25 0.14 0.00 0.00 176.91 177.76 1ddb h LEU 154 N 0.00 -0.90 -0.61 3.39 7.12 0.18 2.08 115.31 126.57 1ddb h LEU 154 Ca -0.00 0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.22 1ddb h LEU 154 Cb 0.06 0.33 -0.09 0.00 -0.53 0.00 0.00 40.66 40.43 1ddb h LEU 154 CO 0.00 -0.42 0.10 -0.07 -0.13 0.00 0.00 178.44 177.92 1ddb h LEU 155 N -0.59 -0.06 0.28 2.25 4.07 -1.13 0.40 115.31 120.54 1ddb h LEU 155 Ca 0.01 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1ddb h LEU 155 Cb 0.59 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1ddb h LEU 155 CO -0.14 -0.02 -0.14 0.00 -1.08 0.00 0.00 178.44 177.06 1ddb h ALA 156 N 1.51 -0.38 -0.66 1.53 0.00 -1.22 3.95 119.26 123.99 1ddb h ALA 156 Ca 0.32 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1ddb h ALA 156 Cb 0.50 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 1ddb h ALA 156 CO -0.44 -0.58 -0.25 -0.22 0.00 0.00 0.00 179.25 177.75 1ddb h LYS 157 N -0.64 -0.07 0.03 0.00 3.11 0.44 -0.79 116.57 118.64 1ddb h LYS 157 Ca -0.04 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1ddb h LYS 157 Cb 0.45 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1ddb h LYS 157 CO 0.06 -0.05 -0.01 0.87 -2.81 0.00 0.00 179.45 177.51 1ddb h LYS 158 N -0.08 -0.03 -6.46 1.90 1.79 -0.14 -3.08 116.57 110.48 1ddb h LYS 158 Ca 0.29 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.24 1ddb h LYS 158 Cb 0.54 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1ddb h LYS 158 CO -0.71 0.67 -0.16 0.08 -1.08 0.00 0.00 179.45 178.25 1ddb s VAL 159 N -2.94 5.04 0.00 0.50 1.01 1.30 0.74 120.40 126.05 1ddb s VAL 159 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1ddb s VAL 159 Cb -0.01 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ddb s VAL 159 CO 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1ddb n ALA 160 N -0.86 0.00 1.05 5.51 0.00 0.68 -3.84 120.51 123.04 1ddb n ALA 160 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1ddb n ALA 160 Cb 0.54 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.13 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 1.41 0.91 0.00 0.00 7.64 -0.38 -4.63 113.62 118.57 1ddb n SER 161 Ca 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1ddb n SER 161 Cb 0.00 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.17 0.00 -3.75 1.43 -0.00 -0.02 -4.87 115.22 106.84 1ddb n HIS 162 Ca 0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.42 1ddb n HIS 162 Cb 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.23 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 3.29 0.00 -1.41 0.00 3.74 -4.83 121.76 121.54 1ddb s ALA 163 Ca 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 51.96 49.19 1ddb s ALA 163 Cb 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 23.12 20.50 1ddb s ALA 163 CO 0.00 -1.89 2.25 -0.35 0.00 0.00 0.00 175.76 175.77 1ddb n PRO 164 N 4.30 1.17 -0.09 0.00 -0.04 -1.26 0.25 135.00 139.32 1ddb n PRO 164 Ca 0.00 -0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 62.94 1ddb n PRO 164 Cb 0.40 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N 2.18 1.52 -3.63 3.54 7.64 -1.26 -4.83 113.62 118.79 1ddb n SER 165 Ca 0.18 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 1ddb n SER 165 Cb 0.55 0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 64.02 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ddb s LEU 166 N -5.62 1.95 0.00 -3.43 1.02 -1.23 -5.02 118.68 106.35 1ddb s LEU 166 Ca -0.16 -2.22 0.00 0.00 0.02 0.00 0.00 54.13 51.76 1ddb s LEU 166 Cb 0.06 -0.77 0.00 0.00 0.02 0.00 0.00 46.19 45.50 1ddb s LEU 166 CO 0.60 -0.32 0.11 -0.11 0.02 0.00 0.00 176.35 176.65 1ddb n LEU 167 N 4.05 2.34 -0.32 1.79 7.94 -1.26 -1.80 117.00 129.73 1ddb n LEU 167 Ca 0.07 0.11 0.10 0.00 -1.11 0.00 0.00 56.01 55.18 1ddb n LEU 167 Cb 0.37 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.63 1ddb n LEU 167 CO 0.18 0.00 1.22 0.08 -1.11 0.00 0.00 177.39 177.76 1ddb h ARG 168 N 0.00 0.81 -0.80 1.96 0.11 -1.84 0.11 114.38 114.73 1ddb h ARG 168 Ca 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 59.98 60.04 1ddb h ARG 168 Cb 0.00 -0.18 -0.04 0.00 1.11 0.00 0.00 29.97 30.86 1ddb h ARG 168 CO 0.00 0.53 0.52 0.22 0.10 0.00 0.00 179.97 181.34 1ddb h ASP 169 N 0.83 0.92 0.10 0.08 1.82 -1.91 -1.71 116.42 116.55 1ddb h ASP 169 Ca 0.49 -0.03 0.02 0.00 -0.39 0.00 0.00 57.03 57.12 1ddb h ASP 169 Cb 0.66 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.39 1ddb h ASP 169 CO -0.26 0.68 -0.36 0.58 -1.61 0.00 0.00 179.24 178.27 1ddb h VAL 170 N 1.08 0.24 -0.22 2.25 2.07 0.02 -0.98 116.25 120.72 1ddb h VAL 170 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1ddb h VAL 170 Cb -0.11 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 29.83 1ddb h VAL 170 CO -0.06 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.00 1ddb h PHE 171 N -0.58 -0.74 -0.55 1.57 -1.00 -1.10 0.39 116.94 114.93 1ddb h PHE 171 Ca 0.03 0.04 0.16 0.00 2.81 0.00 0.00 57.97 61.01 1ddb h PHE 171 Cb 0.62 0.36 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1ddb h PHE 171 CO -0.33 -0.35 0.55 1.25 -1.61 0.00 0.00 178.31 177.82 1ddb h HIS 172 N -0.30 0.00 0.87 -0.55 2.76 -0.84 -0.62 115.15 116.47 1ddb h HIS 172 Ca 0.13 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1ddb h HIS 172 Cb 0.49 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.46 1ddb h HIS 172 CO -0.41 0.00 -0.42 1.15 -1.30 0.00 0.00 177.93 176.95 1ddb h THR 173 N 0.00 0.10 0.32 6.26 2.02 0.11 0.90 112.91 122.61 1ddb h THR 173 Ca 0.26 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1ddb h THR 173 Cb 1.36 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1ddb h THR 173 CO -0.00 0.00 -0.42 0.71 0.37 0.00 0.00 175.52 176.18 1ddb h THR 174 N -1.23 0.16 0.00 3.16 1.35 -0.98 0.20 112.91 115.57 1ddb h THR 174 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1ddb h THR 174 Cb 0.90 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1ddb h THR 174 CO 0.20 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.99 1ddb n VAL 175 N -5.49 0.00 -0.05 6.82 0.31 -0.91 -3.25 118.33 115.75 1ddb n VAL 175 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.17 1ddb n VAL 175 Cb 0.40 -0.13 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 -0.01 0.30 4.52 7.08 0.41 -2.36 115.58 125.52 1ddb h ASN 176 Ca 0.00 -0.43 -0.01 0.00 -3.08 0.00 0.00 56.30 52.78 1ddb h ASN 176 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1ddb h ASN 176 CO 0.00 0.70 -0.15 -0.26 -2.08 0.00 0.00 177.43 175.64 1ddb h PHE 177 N -1.00 -0.38 -0.50 4.14 -1.00 -1.51 0.70 116.94 117.40 1ddb h PHE 177 Ca -0.00 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.85 1ddb h PHE 177 Cb 0.44 0.12 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 1ddb h PHE 177 CO 0.12 -0.09 0.13 0.97 -1.61 0.00 0.00 178.31 177.83 1ddb h ILE 178 N -0.64 0.77 -0.65 -0.55 -0.00 -1.74 1.81 117.51 116.50 1ddb h ILE 178 Ca -0.04 -0.10 -0.08 0.00 -0.00 0.00 0.00 64.86 64.64 1ddb h ILE 178 Cb 0.45 0.45 -0.03 0.00 -0.00 0.00 0.00 36.82 37.70 1ddb h ILE 178 CO 0.07 0.05 0.08 -1.13 -0.00 0.00 0.00 178.15 177.22 1ddb h ASN 179 N 0.29 1.05 0.64 2.19 -0.00 -1.33 -1.34 115.58 117.08 1ddb h ASN 179 Ca 0.25 -0.26 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1ddb h ASN 179 Cb 0.31 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1ddb h ASN 179 CO -0.29 1.05 0.00 0.00 -0.00 0.00 0.00 177.43 178.19 1ddb n GLN 180 N -4.20 0.29 0.00 6.67 1.13 0.24 -4.73 117.38 116.77 1ddb n GLN 180 Ca 0.04 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1ddb n GLN 180 Cb 0.30 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.35 0.00 0.01 1.08 4.05 0.60 -5.01 115.26 114.65 1ddb n ASN 181 Ca 0.11 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.94 1ddb n ASN 181 Cb 0.25 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.12 1ddb n ASN 181 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ddb h LEU 182 N 0.00 0.41 0.00 1.20 3.38 -1.84 -3.49 115.31 114.97 1ddb h LEU 182 Ca 0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1ddb h LEU 182 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1ddb h LEU 182 CO 0.00 1.78 0.00 0.33 0.09 0.00 0.00 178.44 180.64 1ddb n PHE 183 N -3.46 -1.33 0.00 1.13 7.35 -1.19 -5.03 117.46 114.94 1ddb n PHE 183 Ca -0.30 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.46 1ddb n PHE 183 Cb 1.05 0.40 0.00 0.00 0.35 0.00 0.00 39.48 41.28 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ddb n SER 184 N -2.49 0.00 -2.87 -2.13 2.88 -1.26 -4.38 113.62 103.37 1ddb n SER 184 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1ddb n SER 184 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n TYR 185 N 0.00 0.73 0.12 0.66 9.36 -1.26 -4.20 117.16 122.57 1ddb n TYR 185 Ca 0.00 -1.33 -0.24 0.00 3.32 0.00 0.00 57.90 59.65 1ddb n TYR 185 Cb 0.00 -1.27 -0.16 0.00 -0.63 0.00 0.00 39.34 37.28 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ddb h VAL 186 N 3.25 1.19 -0.03 2.97 3.04 -1.94 -2.43 116.25 122.30 1ddb h VAL 186 Ca 0.29 -2.66 0.03 0.00 -1.01 0.00 0.00 66.70 63.35 1ddb h VAL 186 Cb 0.29 2.96 -0.04 0.00 -2.01 0.00 0.00 31.29 32.49 1ddb h VAL 186 CO 1.05 0.83 -0.20 0.08 -1.01 0.00 0.00 177.57 178.31 1ddb h ARG 187 N 0.13 -0.30 -0.05 4.17 0.11 -1.73 0.86 114.38 117.57 1ddb h ARG 187 Ca -0.28 0.02 -0.00 0.00 0.10 0.00 0.00 59.98 59.82 1ddb h ARG 187 Cb 2.15 0.07 -0.00 0.00 1.11 0.00 0.00 29.97 33.29 1ddb h ARG 187 CO 0.25 -0.20 0.01 -0.97 0.10 0.00 0.00 179.97 179.16 1ddb h ASN 188 N -0.31 0.08 -0.73 0.08 -1.24 -1.87 -1.74 115.58 109.84 1ddb h ASN 188 Ca 0.07 -0.21 0.13 0.00 0.71 0.00 0.00 56.30 57.00 1ddb h ASN 188 Cb 0.40 -0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.34 1ddb h ASN 188 CO -0.21 0.27 0.29 -0.07 -1.29 0.00 0.00 177.43 176.42 1ddb h LEU 189 N -0.12 0.29 -0.54 0.34 3.38 -1.04 0.31 115.31 117.93 1ddb h LEU 189 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ddb h LEU 189 Cb 0.22 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1ddb h LEU 189 CO -0.00 0.12 0.31 0.58 0.09 0.00 0.00 178.44 179.54 1ddb h VAL 190 N 0.45 1.02 -0.50 1.22 2.07 0.10 0.62 116.25 121.24 1ddb h VAL 190 Ca 0.39 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1ddb h VAL 190 Cb 0.57 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1ddb h VAL 190 CO -0.38 0.11 0.27 -0.09 0.02 0.00 0.00 177.57 177.50 1ddb h ARG 191 N 0.61 0.70 -0.02 1.57 9.65 0.13 -2.81 114.38 124.21 1ddb h ARG 191 Ca 0.23 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1ddb h ARG 191 Cb 0.06 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1ddb h ARG 191 CO -0.12 0.55 -0.09 -0.97 2.80 0.00 0.00 179.97 182.14 1ddb h ASN 192 N 0.66 -0.28 -1.57 -3.80 -0.73 0.21 -3.37 115.58 106.71 1ddb h ASN 192 Ca 0.17 0.04 -0.42 0.00 1.87 0.00 0.00 56.30 57.97 1ddb h ASN 192 Cb 0.06 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 1ddb h ASN 192 CO -0.03 -0.14 1.21 -0.70 -0.37 0.00 0.00 177.43 177.41 1ddb s GLU 193 N -6.16 2.43 0.02 6.67 2.12 0.14 -4.70 118.70 119.21 1ddb s GLU 193 Ca -0.14 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1ddb s GLU 193 Cb 0.08 -4.58 0.00 0.00 0.26 0.00 0.00 34.13 29.89 1ddb s GLU 193 CO 0.67 -3.08 0.00 -0.12 -0.54 0.00 0.00 175.26 172.18 1ddb n MET 194 N 9.07 -0.12 -0.33 4.30 1.56 -1.26 -4.88 117.12 125.45 1ddb n MET 194 Ca 0.29 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 1ddb n MET 194 Cb 0.51 -0.15 0.00 0.00 2.15 0.00 0.00 33.22 35.73 1ddb n MET 194 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99