#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 0.00 0.00 6.12 5.68 -1.26 -5.19 116.55 121.90 1ddb n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ddb n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ddb n SER 3 N 0.00 0.00 -3.65 -1.12 7.64 -1.26 -5.19 113.62 110.05 1ddb n SER 3 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ddb n SER 3 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1ddb n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1ddb s GLU 4 N -1.98 0.03 -0.25 1.43 -1.05 -1.26 -5.18 118.70 110.44 1ddb s GLU 4 Ca 0.00 0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 1ddb s GLU 4 Cb 0.00 0.01 0.17 0.00 -0.44 0.00 0.00 34.13 33.87 1ddb s GLU 4 CO 0.00 -0.01 1.23 0.54 0.95 0.00 0.00 175.26 177.98 1ddb s VAL 5 N -0.78 0.00 0.00 1.83 0.11 -1.26 -5.18 120.40 115.12 1ddb s VAL 5 Ca 0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1ddb s VAL 5 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1ddb s VAL 5 CO -0.10 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.43 1ddb n SER 6 N 0.76 0.00 0.00 3.54 2.88 -1.26 -5.19 113.62 114.35 1ddb n SER 6 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 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 -3.20 -1.23 0.00 0.00 175.04 170.61 1ddb n ASN 7 N 0.00 0.00 0.00 -3.46 5.15 -1.26 -5.18 115.26 110.51 1ddb n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ddb n ASN 7 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 8 N -0.64 3.48 3.64 8.20 0.00 -1.26 -5.19 105.19 113.42 1ddb n GLY 8 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.15 0.00 1.61 1.04 -1.26 -5.17 113.70 110.06 1ddb s SER 9 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ddb s SER 9 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1ddb s SER 9 CO 0.00 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1ddb n GLY 10 N -0.46 4.11 0.00 7.32 0.00 -1.26 -5.19 105.19 109.71 1ddb n GLY 10 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ddb n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ddb n LEU 11 N 0.00 0.00 0.00 0.99 7.94 -1.26 -5.19 117.00 119.48 1ddb n LEU 11 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ddb n LEU 11 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ddb n LEU 11 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1ddb n GLY 12 N -0.28 3.78 0.00 -3.96 0.00 -1.25 -4.51 105.19 98.97 1ddb n GLY 12 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.48 0.00 -3.07 4.61 0.00 -0.78 -4.72 120.51 115.07 1ddb n ALA 13 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ddb n ALA 13 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1ddb n ALA 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ddb s LYS 14 N -0.22 0.29 0.11 0.00 -0.14 -1.26 -5.05 119.74 113.46 1ddb s LYS 14 Ca 0.00 0.06 -0.19 0.00 -1.36 0.00 0.00 55.97 54.48 1ddb s LYS 14 Cb 0.00 0.13 -0.06 0.00 -1.68 0.00 0.00 37.83 36.22 1ddb s LYS 14 CO 0.00 -0.05 1.67 1.25 -0.76 0.00 0.00 175.35 177.46 1ddb h HIS 15 N 5.41 0.37 -0.89 3.18 2.76 -2.02 -2.11 115.15 121.85 1ddb h HIS 15 Ca -0.27 -0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1ddb h HIS 15 Cb 1.20 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.97 1ddb h HIS 15 CO 0.46 0.37 0.57 0.97 -1.30 0.00 0.00 177.93 179.00 1ddb h ILE 16 N 0.27 0.84 0.32 6.26 -0.00 -1.99 -1.84 117.51 121.36 1ddb h ILE 16 Ca 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 1ddb h ILE 16 Cb 0.14 0.09 -0.03 0.00 -0.00 0.00 0.00 36.82 37.02 1ddb h ILE 16 CO -0.01 0.13 -0.48 0.74 -0.00 0.00 0.00 178.15 178.53 1ddb h THR 17 N 0.69 0.06 -1.04 2.19 2.02 -1.78 -0.35 112.91 114.70 1ddb h THR 17 Ca 0.44 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.89 1ddb h THR 17 Cb 0.70 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 67.08 1ddb h THR 17 CO -0.20 0.00 0.67 0.44 0.37 0.00 0.00 175.52 176.80 1ddb h ASP 18 N -0.85 0.43 -0.26 4.18 3.32 -1.20 1.51 116.42 123.56 1ddb h ASP 18 Ca -0.03 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ddb h ASP 18 Cb 0.79 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1ddb h ASP 18 CO -0.16 0.08 0.13 -0.07 -1.72 0.00 0.00 179.24 177.50 1ddb h LEU 19 N 0.38 0.37 -0.31 1.55 -0.00 -0.69 -1.24 115.31 115.36 1ddb h LEU 19 Ca 0.60 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.42 1ddb h LEU 19 Cb 1.53 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.08 1ddb h LEU 19 CO -0.29 0.33 0.09 0.25 -0.00 0.00 0.00 178.44 178.82 1ddb h LEU 20 N 0.42 0.46 0.54 1.67 7.12 0.30 2.01 115.31 127.82 1ddb h LEU 20 Ca 0.11 -0.22 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1ddb h LEU 20 Cb 0.07 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 1ddb h LEU 20 CO -0.01 0.56 -0.28 1.62 -0.13 0.00 0.00 178.44 180.19 1ddb h VAL 21 N 0.34 0.00 -0.04 1.05 3.04 -0.92 1.52 116.25 121.24 1ddb h VAL 21 Ca 0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.76 1ddb h VAL 21 Cb 0.27 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.54 1ddb h VAL 21 CO -0.00 0.00 -0.09 0.15 -1.01 0.00 0.00 177.57 176.62 1ddb h PHE 22 N -0.75 0.06 -0.07 3.17 3.04 -1.28 -1.92 116.94 119.19 1ddb h PHE 22 Ca -0.07 -0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.69 1ddb h PHE 22 Cb 0.59 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 1ddb h PHE 22 CO 0.06 0.15 -0.75 0.78 -2.02 0.00 0.00 178.31 176.53 1ddb h GLY 23 N 0.38 0.44 0.70 2.40 0.00 0.35 -2.87 103.07 104.47 1ddb h GLY 23 Ca 0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1ddb h GLY 23 CO 0.01 0.56 -0.32 -2.75 0.00 0.00 0.00 176.54 174.04 1ddb h PHE 24 N 0.27 -0.86 -0.72 5.60 3.04 0.30 0.13 116.94 124.69 1ddb h PHE 24 Ca -0.03 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.98 1ddb h PHE 24 Cb 1.32 0.33 -0.06 0.00 2.56 0.00 0.00 35.95 40.11 1ddb h PHE 24 CO 0.04 -0.46 0.42 -0.07 -2.02 0.00 0.00 178.31 176.22 1ddb h LEU 25 N -0.70 0.63 -2.05 0.59 4.07 -1.60 0.12 115.31 116.38 1ddb h LEU 25 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ddb h LEU 25 Cb 0.62 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1ddb h LEU 25 CO -0.03 0.40 0.00 0.06 -1.08 0.00 0.00 178.44 177.79 1ddb h GLN 26 N 0.76 0.00 0.00 1.13 -0.00 -1.20 -2.50 115.11 113.30 1ddb h GLN 26 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1ddb h GLN 26 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1ddb h GLN 26 CO -0.18 0.00 0.00 0.45 -0.00 0.00 0.00 178.83 179.10 1ddb n SER 27 N -4.47 0.00 -2.67 0.06 2.88 0.40 -4.82 113.62 104.99 1ddb n SER 27 Ca -0.03 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 1ddb n SER 27 Cb 0.09 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.60 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N -0.15 0.70 0.00 -3.46 2.88 -0.99 -4.92 113.62 107.68 1ddb n SER 28 Ca 0.00 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1ddb n SER 28 Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N -0.17 -0.09 0.00 0.46 0.00 -0.94 -4.59 105.19 99.86 1ddb n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.46 0.05 0.27 0.00 2.01 -1.26 -4.99 115.64 113.18 1ddb s THR 31 Ca 0.00 -1.70 -0.02 0.00 0.31 0.00 0.00 61.69 60.27 1ddb s THR 31 Cb 0.00 -2.10 0.29 0.00 0.01 0.00 0.00 72.50 70.69 1ddb s THR 31 CO 0.00 -0.25 1.65 -0.09 -0.69 0.00 0.00 174.62 175.24 1ddb h ARG 32 N 2.63 0.18 0.00 4.92 9.65 -1.96 1.36 114.38 131.17 1ddb h ARG 32 Ca -0.33 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.53 1ddb h ARG 32 Cb 1.23 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1ddb h ARG 32 CO 0.51 0.12 -0.03 1.96 2.80 0.00 0.00 179.97 185.33 1ddb h GLN 33 N 0.19 0.00 0.41 0.20 1.08 -1.99 -1.95 115.11 113.05 1ddb h GLN 33 Ca 0.48 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.66 1ddb h GLN 33 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ddb h GLN 33 CO -0.63 0.03 -0.20 1.49 -0.95 0.00 0.00 178.83 178.57 1ddb h GLU 34 N 0.00 -0.53 -1.10 1.46 4.57 0.14 -1.15 114.58 117.96 1ddb h GLU 34 Ca -0.00 0.04 0.32 0.00 -1.18 0.00 0.00 59.36 58.54 1ddb h GLU 34 Cb 0.06 0.12 -0.12 0.00 -0.16 0.00 0.00 28.75 28.65 1ddb h GLU 34 CO 0.00 -0.32 0.69 1.37 -1.18 0.00 0.00 179.01 179.58 1ddb h LEU 35 N -1.12 0.42 -0.52 1.64 -0.00 -0.90 1.54 115.31 116.37 1ddb h LEU 35 Ca -0.06 0.12 -0.16 0.00 -0.00 0.00 0.00 57.88 57.78 1ddb h LEU 35 Cb 0.46 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1ddb h LEU 35 CO 0.09 -0.02 -0.64 -0.08 -0.00 0.00 0.00 178.44 177.78 1ddb h GLU 36 N 0.31 0.37 0.60 0.17 4.81 -1.34 1.85 114.58 121.36 1ddb h GLU 36 Ca 0.68 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1ddb h GLU 36 Cb 1.80 0.05 0.01 0.00 0.63 0.00 0.00 28.75 31.23 1ddb h GLU 36 CO -0.40 0.89 -0.29 0.28 -0.73 0.00 0.00 179.01 178.76 1ddb h VAL 37 N 0.27 0.00 -0.17 0.32 2.07 0.34 0.17 116.25 119.25 1ddb h VAL 37 Ca -0.01 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.22 1ddb h VAL 37 Cb 1.19 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ddb h VAL 37 CO 0.11 0.00 -0.74 -0.07 0.02 0.00 0.00 177.57 176.89 1ddb h LEU 38 N -0.88 0.91 -0.46 2.57 3.38 -1.18 -2.70 115.31 116.95 1ddb h LEU 38 Ca -0.08 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.38 1ddb h LEU 38 Cb 0.62 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1ddb h LEU 38 CO 0.14 1.38 -0.42 1.23 0.09 0.00 0.00 178.44 180.86 1ddb h GLY 39 N 0.64 -0.48 0.00 0.83 0.00 0.29 -3.43 103.07 100.92 1ddb h GLY 39 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1ddb h GLY 39 CO 0.15 -0.18 0.00 0.54 0.00 0.00 0.00 176.54 177.05 1ddb n ARG 40 N -5.41 0.00 -3.69 4.80 5.12 -0.48 -4.92 116.66 112.08 1ddb n ARG 40 Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.78 1ddb n ARG 40 Cb 0.35 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.50 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ddb s GLU 41 N 0.00 0.09 -0.44 5.56 2.56 0.46 -4.90 118.70 122.03 1ddb s GLU 41 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 54.97 55.41 1ddb s GLU 41 Cb 0.00 -0.18 0.06 0.00 2.00 0.00 0.00 34.13 36.01 1ddb s GLU 41 CO 0.00 -0.26 0.33 -0.51 -0.56 0.00 0.00 175.26 174.25 1ddb s LEU 42 N 2.02 5.30 -0.73 2.70 2.01 -1.26 -4.63 118.68 124.10 1ddb s LEU 42 Ca -0.01 -1.21 -0.06 0.00 0.01 0.00 0.00 54.13 52.86 1ddb s LEU 42 Cb -0.12 -2.12 -0.12 0.00 0.01 0.00 0.00 46.19 43.84 1ddb s LEU 42 CO -0.07 -0.55 2.62 -0.81 1.01 0.00 0.00 176.35 178.56 1ddb n PRO 43 N 5.12 2.26 -0.12 1.29 -0.04 -1.26 -4.54 135.00 137.70 1ddb n PRO 43 Ca -0.12 -1.36 0.22 0.00 -0.04 0.00 0.00 63.50 62.21 1ddb n PRO 43 Cb 0.45 -2.30 0.64 0.00 -0.04 0.00 0.00 33.50 32.25 1ddb n PRO 43 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ddb h VAL 44 N 2.85 0.67 0.00 0.52 3.04 -2.04 -3.41 116.25 117.89 1ddb h VAL 44 Ca 0.45 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.09 1ddb h VAL 44 Cb 0.58 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1ddb h VAL 44 CO 1.07 0.02 0.00 1.67 -1.01 0.00 0.00 177.57 179.32 1ddb n GLN 45 N -4.38 0.00 -3.91 4.17 7.27 -1.26 -5.19 117.38 114.08 1ddb n GLN 45 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.11 1ddb n GLN 45 Cb 0.73 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.38 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb s ALA 46 N 0.00 -0.12 0.66 1.69 0.00 -1.26 -5.14 121.76 117.59 1ddb s ALA 46 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1ddb s ALA 46 Cb 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 23.12 23.84 1ddb s ALA 46 CO 0.00 -0.91 -0.42 0.98 0.00 0.00 0.00 175.76 175.41 1ddb n TYR 47 N -0.56 -3.59 0.00 0.00 9.36 -1.26 -4.97 117.16 116.15 1ddb n TYR 47 Ca -0.05 0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1ddb n TYR 47 Cb 0.60 -1.35 0.00 0.00 -0.63 0.00 0.00 39.34 37.97 1ddb n TYR 47 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1ddb n TRP 48 N -1.76 0.00 -2.40 2.98 -0.00 -1.26 -5.19 117.44 109.81 1ddb n TRP 48 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1ddb n TRP 48 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1ddb n GLU 49 N 0.00 3.56 -3.29 5.87 2.13 -1.26 -5.16 120.64 122.49 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ddb n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb n ALA 50 N -3.00 0.00 -3.85 4.31 0.00 -1.26 -5.19 120.51 111.52 1ddb n ALA 50 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ddb n ALA 50 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ddb s ASP 51 N -2.57 -0.03 -0.30 0.00 1.01 -1.26 -5.18 116.67 108.35 1ddb s ASP 51 Ca 0.00 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.54 1ddb s ASP 51 Cb 0.00 0.45 0.21 0.00 1.01 0.00 0.00 42.92 44.60 1ddb s ASP 51 CO 0.00 -0.89 1.28 -0.22 0.21 0.00 0.00 175.17 175.55 1ddb s LEU 52 N -3.33 -0.04 0.13 1.23 1.98 -1.26 -5.13 118.68 112.26 1ddb s LEU 52 Ca 0.20 0.06 -0.35 0.00 -2.89 0.00 0.00 54.13 51.15 1ddb s LEU 52 Cb -0.02 1.05 -0.16 0.00 0.66 0.00 0.00 46.19 47.73 1ddb s LEU 52 CO 0.04 -0.01 1.34 1.21 -1.89 0.00 0.00 176.35 177.04 1ddb n GLU 53 N 3.11 1.37 -4.41 1.98 2.13 -1.26 -4.97 120.64 118.58 1ddb n GLU 53 Ca -0.17 0.49 -0.21 0.00 0.66 0.00 0.00 57.16 57.93 1ddb n GLU 53 Cb 0.56 -2.12 -0.09 0.00 0.27 0.00 0.00 31.44 30.06 1ddb n GLU 53 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ddb s ASP 54 N 0.41 2.06 0.10 4.31 2.15 -1.26 -5.11 116.67 119.33 1ddb s ASP 54 Ca 0.80 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1ddb s ASP 54 Cb -0.86 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 1ddb s ASP 54 CO 0.47 -0.82 0.00 1.21 -0.17 0.00 0.00 175.17 175.86 1ddb n GLU 55 N -0.69 -0.73 -4.24 4.34 0.00 -1.26 -5.00 120.64 113.05 1ddb n GLU 55 Ca -0.02 0.52 -0.29 0.00 0.00 0.00 0.00 57.16 57.37 1ddb n GLU 55 Cb 0.65 -0.88 -0.03 0.00 0.00 0.00 0.00 31.44 31.18 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ddb s LEU 56 N -4.39 2.54 -0.32 4.31 1.02 -1.26 -5.11 118.68 115.47 1ddb s LEU 56 Ca 0.00 -1.41 -0.11 0.00 0.02 0.00 0.00 54.13 52.63 1ddb s LEU 56 Cb 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 46.19 45.19 1ddb s LEU 56 CO 0.00 -1.00 0.19 -1.58 0.02 0.00 0.00 176.35 173.98 1ddb s GLN 57 N -4.12 3.47 0.37 1.70 0.74 -1.26 -5.08 119.66 115.48 1ddb s GLN 57 Ca 0.22 -0.64 -0.04 0.00 0.05 0.00 0.00 55.36 54.95 1ddb s GLN 57 Cb -0.01 -3.67 0.08 0.00 1.10 0.00 0.00 33.01 30.52 1ddb s GLN 57 CO 0.14 -0.40 0.50 0.25 -0.55 0.00 0.00 175.29 175.23 1ddb n THR 58 N 5.04 0.00 -0.78 -0.34 -2.24 -1.26 -5.03 114.28 109.67 1ddb n THR 58 Ca -0.13 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1ddb n THR 58 Cb 0.50 -1.51 0.13 0.00 -2.10 0.00 0.00 70.33 67.34 1ddb n THR 58 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ddb n ASP 59 N -3.18 -2.61 0.00 3.42 5.75 -1.26 -4.87 116.55 113.79 1ddb n ASP 59 Ca 0.07 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1ddb n ASP 59 Cb 0.25 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ddb n GLY 60 N 2.01 1.92 2.98 6.12 0.00 -1.26 -5.11 105.19 111.84 1ddb n GLY 60 Ca 0.03 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 1ddb n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddb s SER 61 N 0.00 0.36 0.00 1.61 0.15 -1.26 -5.12 113.70 109.43 1ddb s SER 61 Ca 0.00 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1ddb s SER 61 Cb 0.00 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ddb s SER 61 CO 0.00 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.21 1ddb n GLN 62 N 5.22 0.00 -4.32 5.44 1.13 -1.26 -5.19 117.38 118.40 1ddb n GLN 62 Ca -0.08 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.77 1ddb n GLN 62 Cb 0.50 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.77 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb s ALA 63 N 0.00 2.07 0.26 -1.58 0.00 -1.26 -5.18 121.76 116.07 1ddb s ALA 63 Ca 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.02 1ddb s ALA 63 Cb 0.00 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.49 1ddb s ALA 63 CO 0.00 -0.61 0.34 0.43 0.00 0.00 0.00 175.76 175.92 1ddb n SER 64 N -1.56 -0.95 -4.47 0.00 7.64 -1.26 -5.19 113.62 107.84 1ddb n SER 64 Ca 0.05 -2.49 -0.30 0.00 1.01 0.00 0.00 58.87 57.15 1ddb n SER 64 Cb 0.63 1.82 -0.06 0.00 -1.01 0.00 0.00 64.21 65.59 1ddb n SER 64 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ddb n ARG 65 N -0.45 0.86 0.00 1.43 1.85 -1.26 -5.14 116.66 113.95 1ddb n ARG 65 Ca 0.02 -3.39 0.00 0.00 -1.00 0.00 0.00 57.85 53.48 1ddb n ARG 65 Cb 0.45 0.87 0.00 0.00 -1.05 0.00 0.00 32.46 32.73 1ddb n ARG 65 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ddb n SER 66 N -1.32 0.00 -3.80 2.89 2.88 -1.26 -5.17 113.62 107.84 1ddb n SER 66 Ca -0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.25 1ddb n SER 66 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1ddb n SER 66 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1ddb s PHE 67 N -1.86 -0.03 0.23 0.66 5.36 -1.26 -5.18 117.98 115.91 1ddb s PHE 67 Ca 0.00 -0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1ddb s PHE 67 Cb 0.00 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 1ddb s PHE 67 CO 0.00 -0.47 0.24 1.21 -1.46 0.00 0.00 175.22 174.74 1ddb s ASN 68 N -2.08 0.25 0.32 6.13 2.47 -1.26 -5.18 114.94 115.59 1ddb s ASN 68 Ca -0.05 -1.31 -0.17 0.00 0.42 0.00 0.00 52.86 51.75 1ddb s ASN 68 Cb -0.01 0.46 0.03 0.00 -1.45 0.00 0.00 41.25 40.28 1ddb s ASN 68 CO -0.04 -0.95 0.70 0.00 -3.72 0.00 0.00 177.10 173.09 1ddb s GLN 69 N -4.01 1.95 -0.29 0.43 -2.07 -1.26 -5.18 119.66 109.24 1ddb s GLN 69 Ca 0.35 -1.26 -0.17 0.00 -1.82 0.00 0.00 55.36 52.46 1ddb s GLN 69 Cb 0.04 0.59 0.12 0.00 -1.09 0.00 0.00 33.01 32.68 1ddb s GLN 69 CO 0.13 -0.89 0.89 0.20 -1.32 0.00 0.00 175.29 174.30 1ddb s GLY 70 N -3.02 -0.21 0.39 2.60 0.00 -1.26 -5.17 107.32 100.66 1ddb s GLY 70 Ca 0.16 2.88 0.05 0.00 0.00 0.00 0.00 44.72 47.81 1ddb s GLY 70 CO 0.10 2.46 0.55 0.50 0.00 0.00 0.00 173.10 176.71 1ddb s ARG 71 N 1.31 3.00 -0.05 2.90 0.52 -1.26 -5.12 118.95 120.25 1ddb s ARG 71 Ca -0.08 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 1ddb s ARG 71 Cb -0.04 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.71 1ddb s ARG 71 CO -0.15 -0.13 -0.08 0.96 0.02 0.00 0.00 175.30 175.91 1ddb s ILE 72 N -2.33 0.79 -0.05 1.52 -4.36 -1.26 -5.14 121.20 110.37 1ddb s ILE 72 Ca 0.49 -0.28 0.05 0.00 -0.26 0.00 0.00 60.65 60.64 1ddb s ILE 72 Cb -0.10 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 1ddb s ILE 72 CO 0.33 0.28 -0.20 -0.70 0.24 0.00 0.00 174.94 174.89 1ddb s GLU 73 N 0.75 2.53 0.21 0.37 2.12 -1.26 -5.13 118.70 118.28 1ddb s GLU 73 Ca -0.12 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 1ddb s GLU 73 Cb -0.15 -2.27 0.05 0.00 0.26 0.00 0.00 34.13 32.02 1ddb s GLU 73 CO 0.02 0.50 0.23 -0.35 -0.54 0.00 0.00 175.26 175.11 1ddb n PRO 74 N 2.65 -0.82 -3.59 4.30 -0.04 -1.26 -5.11 135.00 131.13 1ddb n PRO 74 Ca -0.17 -0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 62.85 1ddb n PRO 74 Cb 0.52 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.68 1ddb n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ddb s ASP 75 N -1.98 -0.39 0.10 3.54 1.01 -1.26 -5.19 116.67 112.50 1ddb s ASP 75 Ca 0.14 -0.19 -0.26 0.00 0.71 0.00 0.00 52.55 52.94 1ddb s ASP 75 Cb -0.01 0.55 0.08 0.00 1.01 0.00 0.00 42.92 44.55 1ddb s ASP 75 CO 0.10 -0.95 0.97 -0.94 0.21 0.00 0.00 175.17 174.56 1ddb s SER 76 N -2.75 -0.22 0.00 0.27 1.04 -1.26 -5.02 113.70 105.77 1ddb s SER 76 Ca 0.06 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1ddb s SER 76 Cb -0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ddb s SER 76 CO -0.05 -0.78 0.00 -0.62 0.98 0.00 0.00 173.24 172.77 1ddb n GLU 77 N -0.41 0.00 0.00 4.02 4.71 -1.26 -5.11 120.64 122.59 1ddb n GLU 77 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 1ddb n GLU 77 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.04 1ddb n GLU 77 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1ddb n SER 78 N 0.00 0.00 -4.39 1.62 3.41 -1.26 -5.14 113.62 107.86 1ddb n SER 78 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.15 1ddb n SER 78 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddb n GLN 79 N 0.00 0.17 -3.63 4.33 6.02 -1.26 -4.96 117.38 118.04 1ddb n GLN 79 Ca 0.00 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1ddb n GLN 79 Cb 0.00 -1.12 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 1ddb n GLN 79 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1ddb s GLU 80 N -1.10 0.10 0.00 -1.09 -1.05 -1.26 -5.06 118.70 109.24 1ddb s GLU 80 Ca 0.62 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1ddb s GLU 80 Cb -0.81 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 32.93 1ddb s GLU 80 CO 0.58 -0.04 0.00 0.39 0.95 0.00 0.00 175.26 177.15 1ddb n GLU 81 N 0.23 2.50 0.00 -4.83 1.02 -1.26 -4.92 120.64 113.38 1ddb n GLU 81 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ddb n GLU 81 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ddb n ILE 82 N 0.00 0.00 -0.33 -3.67 -0.00 -1.26 -4.02 119.36 110.08 1ddb n ILE 82 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.87 1ddb n ILE 82 Cb 0.00 -0.04 0.33 0.00 -0.00 0.00 0.00 39.64 39.92 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ddb h ILE 83 N 0.00 0.80 -0.47 1.39 2.04 -2.00 0.14 117.51 119.41 1ddb h ILE 83 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1ddb h ILE 83 Cb 0.00 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 1ddb h ILE 83 CO 0.00 0.14 0.25 0.45 0.00 0.00 0.00 178.15 178.99 1ddb h HIS 84 N 0.79 0.66 -0.25 1.37 3.86 -1.93 0.11 115.15 119.76 1ddb h HIS 84 Ca 0.51 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.75 1ddb h HIS 84 Cb 0.76 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1ddb h HIS 84 CO -0.00 0.51 -0.07 -0.97 0.86 0.00 0.00 177.93 178.26 1ddb h ASN 85 N 0.62 -0.25 -0.63 2.45 -0.00 -0.90 -0.04 115.58 116.84 1ddb h ASN 85 Ca 0.16 0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.52 1ddb h ASN 85 Cb 0.08 0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.53 1ddb h ASN 85 CO -0.02 -0.09 0.33 -0.29 -0.00 0.00 0.00 177.43 177.36 1ddb h ILE 86 N -0.01 1.21 -0.69 2.57 6.09 -0.93 -1.33 117.51 124.42 1ddb h ILE 86 Ca 0.12 -0.56 0.10 0.00 -1.37 0.00 0.00 64.86 63.15 1ddb h ILE 86 Cb 0.19 0.35 -0.08 0.00 0.47 0.00 0.00 36.82 37.76 1ddb h ILE 86 CO -0.27 0.24 0.32 0.00 -3.07 0.00 0.00 178.15 175.37 1ddb h ALA 87 N 1.44 0.95 0.13 0.18 0.00 0.10 -0.35 119.26 121.71 1ddb h ALA 87 Ca 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ddb h ALA 87 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ddb h ALA 87 CO -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.05 1ddb h ARG 88 N 0.53 -0.17 -0.04 0.00 3.08 -0.39 -2.49 114.38 114.90 1ddb h ARG 88 Ca 0.35 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.42 1ddb h ARG 88 Cb 0.41 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ddb h ARG 88 CO -0.30 0.18 0.45 1.25 -1.07 0.00 0.00 179.97 180.48 1ddb h HIS 89 N -0.53 0.00 0.43 3.04 2.76 -0.62 -1.18 115.15 119.05 1ddb h HIS 89 Ca -0.02 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1ddb h HIS 89 Cb 0.42 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1ddb h HIS 89 CO 0.04 0.00 -0.26 1.25 -1.30 0.00 0.00 177.93 177.66 1ddb h LEU 90 N 0.00 -0.65 -0.61 0.26 5.85 -0.60 0.35 115.31 119.92 1ddb h LEU 90 Ca 0.02 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1ddb h LEU 90 Cb 0.92 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1ddb h LEU 90 CO -0.00 -0.40 0.28 0.00 -0.34 0.00 0.00 178.44 177.98 1ddb h ALA 91 N -1.54 0.80 -0.53 1.25 0.00 -1.33 0.04 119.26 117.95 1ddb h ALA 91 Ca -0.06 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ddb h ALA 91 Cb 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1ddb h ALA 91 CO 0.06 -0.11 0.03 0.37 0.00 0.00 0.00 179.25 179.61 1ddb h GLN 92 N 0.50 0.15 0.00 0.00 4.15 -1.27 0.65 115.11 119.29 1ddb h GLN 92 Ca 0.29 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1ddb h GLN 92 Cb 0.29 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1ddb h GLN 92 CO -0.24 0.10 -0.08 -0.84 -1.93 0.00 0.00 178.83 175.83 1ddb h ILE 93 N 0.15 0.28 0.51 2.39 3.07 0.87 -2.49 117.51 122.29 1ddb h ILE 93 Ca 0.27 -0.58 -0.02 0.00 1.55 0.00 0.00 64.86 66.07 1ddb h ILE 93 Cb 0.41 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1ddb h ILE 93 CO -0.42 0.08 -0.24 1.23 -1.05 0.00 0.00 178.15 177.75 1ddb h GLY 94 N 1.44 -0.71 0.88 0.16 0.00 0.22 1.96 103.07 107.02 1ddb h GLY 94 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1ddb h GLY 94 CO 0.01 -0.26 -0.07 -1.80 0.00 0.00 0.00 176.54 174.42 1ddb h ASP 95 N -0.81 -0.16 -0.75 0.19 1.82 -1.27 -2.51 116.42 112.93 1ddb h ASP 95 Ca -0.07 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 1ddb h ASP 95 Cb 0.58 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.59 1ddb h ASP 95 CO 0.11 0.00 0.42 -0.08 -1.61 0.00 0.00 179.24 178.09 1ddb h GLU 96 N -0.31 1.06 -0.57 0.28 4.57 -1.45 -2.57 114.58 115.58 1ddb h GLU 96 Ca -0.02 -0.12 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 1ddb h GLU 96 Cb 0.25 -0.21 -0.09 0.00 -0.16 0.00 0.00 28.75 28.54 1ddb h GLU 96 CO 0.03 0.77 0.07 1.98 -1.18 0.00 0.00 179.01 180.68 1ddb h MET 97 N 1.07 0.18 -1.54 1.92 1.85 0.35 0.12 114.93 118.88 1ddb h MET 97 Ca 0.27 -0.01 0.47 0.00 -0.61 0.00 0.00 59.70 59.82 1ddb h MET 97 Cb 0.02 -0.04 -0.09 0.00 0.43 0.00 0.00 31.60 31.92 1ddb h MET 97 CO -0.04 0.12 1.07 -3.47 -0.40 0.00 0.00 176.91 174.18 1ddb n ASP 98 N -5.19 0.08 -0.33 1.39 2.03 -0.97 0.21 116.55 113.77 1ddb n ASP 98 Ca 0.08 1.02 0.25 0.00 0.52 0.00 0.00 54.79 56.65 1ddb n ASP 98 Cb 0.31 -0.50 0.49 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.92 -2.24 -0.67 2.76 -0.90 -3.18 115.15 111.83 1ddb h HIS 99 Ca 0.81 0.04 -0.49 0.00 -2.20 0.00 0.00 60.37 58.53 1ddb h HIS 99 Cb 3.01 -0.24 -0.35 0.00 1.55 0.00 0.00 27.41 31.38 1ddb h HIS 99 CO -0.00 -0.21 -0.80 -0.80 -1.30 0.00 0.00 177.93 174.82 1ddb s ASN 100 N -4.86 1.82 -0.76 3.26 0.01 0.56 -5.05 114.94 109.92 1ddb s ASN 100 Ca -0.10 -2.14 0.02 0.00 -0.71 0.00 0.00 52.86 49.94 1ddb s ASN 100 Cb 0.31 0.04 0.18 0.00 0.41 0.00 0.00 41.25 42.19 1ddb s ASN 100 CO 0.79 -0.25 0.58 -0.63 -1.51 0.00 0.00 177.10 176.08 1ddb s ILE 101 N 0.98 3.43 0.00 0.60 1.01 -1.20 -4.65 121.20 121.36 1ddb s ILE 101 Ca 0.21 -4.03 0.00 0.00 0.00 0.00 0.00 60.65 56.83 1ddb s ILE 101 Cb -0.14 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1ddb s ILE 101 CO -0.05 -1.02 0.00 1.67 0.00 0.00 0.00 174.94 175.55 1ddb n GLN 102 N 2.22 0.00 -2.05 2.79 0.00 -1.26 -4.74 117.38 114.34 1ddb n GLN 102 Ca 0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.81 1ddb n GLN 102 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.57 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1ddb n PRO 103 N 0.00 2.33 -0.62 3.69 -0.04 -1.26 -3.33 135.00 135.76 1ddb n PRO 103 Ca 0.00 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1ddb n PRO 103 Cb 0.00 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.01 1ddb n PRO 103 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ddb n THR 104 N 6.61 0.00 0.00 0.52 -2.24 -1.26 -3.55 114.28 114.35 1ddb n THR 104 Ca 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1ddb n THR 104 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ddb n LEU 105 N 0.00 0.00 0.00 3.22 4.77 -1.21 -5.05 117.00 118.73 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ddb n LEU 105 CO 0.00 0.00 0.24 0.52 -1.33 0.00 0.00 177.39 176.82 1ddb n VAL 106 N -1.14 0.00 0.19 4.08 0.31 -1.23 -2.75 118.33 117.78 1ddb n VAL 106 Ca 0.00 0.89 0.11 0.00 -0.01 0.00 0.00 64.34 65.33 1ddb n VAL 106 Cb 0.00 -1.70 0.59 0.00 -0.91 0.00 0.00 33.84 31.82 1ddb n VAL 106 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ddb h ARG 107 N 0.00 0.00 -0.08 5.55 2.47 -1.89 -1.17 114.38 119.25 1ddb h ARG 107 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ddb h ARG 107 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ddb h ARG 107 CO 0.00 0.00 0.04 1.96 0.56 0.00 0.00 179.97 182.53 1ddb h GLN 108 N 0.00 0.13 0.93 0.04 1.08 -1.84 0.17 115.11 115.62 1ddb h GLN 108 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1ddb h GLN 108 Cb 0.22 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1ddb h GLN 108 CO 0.00 0.23 -0.45 1.37 -0.95 0.00 0.00 178.83 179.04 1ddb h LEU 109 N -0.01 -1.06 -1.53 1.46 8.10 -1.02 -0.24 115.31 121.02 1ddb h LEU 109 Ca 0.03 0.03 0.25 0.00 0.11 0.00 0.00 57.88 58.30 1ddb h LEU 109 Cb 0.16 0.27 -0.07 0.00 -0.44 0.00 0.00 40.66 40.57 1ddb h LEU 109 CO -0.00 -0.74 0.65 0.00 -4.11 0.00 0.00 178.44 174.24 1ddb h ALA 110 N -1.20 2.34 0.00 0.17 0.00 -1.55 2.02 119.26 121.04 1ddb h ALA 110 Ca -0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 110 Cb 0.96 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ddb h ALA 110 CO 0.21 -0.68 -0.21 0.00 0.00 0.00 0.00 179.25 178.57 1ddb h ALA 111 N 1.59 1.07 0.02 0.00 0.00 0.01 -2.82 119.26 119.12 1ddb h ALA 111 Ca 0.53 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1ddb h ALA 111 Cb 1.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1ddb h ALA 111 CO -0.20 0.26 -0.23 -0.56 0.00 0.00 0.00 179.25 178.52 1ddb h GLN 112 N 0.00 -0.35 -0.39 0.00 3.07 0.50 -2.38 115.11 115.56 1ddb h GLN 112 Ca -0.00 0.02 -0.13 0.00 0.09 0.00 0.00 58.65 58.63 1ddb h GLN 112 Cb 0.67 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 1ddb h GLN 112 CO 0.03 -0.24 -0.28 0.27 0.09 0.00 0.00 178.83 178.70 1ddb h PHE 113 N -0.37 0.98 0.00 0.06 -5.15 -1.51 -2.71 116.94 108.23 1ddb h PHE 113 Ca 0.06 -0.25 0.00 0.00 -0.20 0.00 0.00 57.97 57.57 1ddb h PHE 113 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 35.95 36.39 1ddb h PHE 113 CO -0.26 1.02 0.53 0.00 -2.00 0.00 0.00 178.31 177.60 1ddb h MET 114 N 0.72 0.00 -5.20 6.09 -0.00 -1.17 -3.36 114.93 112.00 1ddb h MET 114 Ca 0.08 0.00 -0.63 0.00 -0.00 0.00 0.00 59.70 59.15 1ddb h MET 114 Cb 0.83 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 32.23 1ddb h MET 114 CO 0.07 0.00 -0.63 1.21 -0.00 0.00 0.00 176.91 177.56 1ddb s ASN 115 N -3.91 5.06 0.00 -0.10 2.47 -1.02 -4.96 114.94 112.47 1ddb s ASN 115 Ca -0.02 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1ddb s ASN 115 Cb 0.06 -1.86 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 1ddb s ASN 115 CO 0.18 0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.29 1ddb n GLY 116 N 3.89 0.22 0.00 1.21 0.00 -1.26 -4.96 105.19 104.30 1ddb n GLY 116 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 117 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.14 113.62 111.71 1ddb n SER 117 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 117 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -3.33 2.46 7.94 -1.26 -4.96 117.00 117.85 1ddb n LEU 118 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 1ddb n LEU 118 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1ddb n LEU 118 CO 0.00 0.00 -0.27 -0.24 -1.11 0.00 0.00 177.39 175.77 1ddb n SER 119 N 0.00 0.27 0.00 1.96 2.88 -1.26 -4.75 113.62 112.72 1ddb n SER 119 Ca 0.00 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1ddb n SER 119 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1ddb n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ddb n GLU 120 N 2.01 0.00 -0.46 -1.46 1.02 -1.26 -4.85 120.64 115.64 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 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 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 0.00 0.00 -2.40 3.49 -0.00 -1.26 -4.60 120.64 115.87 1ddb n GLU 121 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.09 1ddb n GLU 121 Cb 0.00 -0.51 0.03 0.00 -0.00 0.00 0.00 31.44 30.96 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ddb n ASP 122 N 0.06 -4.49 -4.08 -1.84 9.92 -1.26 -4.96 116.55 109.90 1ddb n ASP 122 Ca 0.00 -0.33 -0.36 0.00 -0.53 0.00 0.00 54.79 53.56 1ddb n ASP 122 Cb 0.10 -2.99 0.06 0.00 -0.64 0.00 0.00 41.12 37.66 1ddb n ASP 122 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ddb n LYS 123 N -2.29 -0.26 0.00 -1.24 2.85 -1.26 -4.92 118.16 111.04 1ddb n LYS 123 Ca -0.03 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1ddb n LYS 123 Cb 0.56 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 1ddb n LYS 123 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1ddb n ARG 124 N 1.39 -0.89 -0.15 -1.58 1.85 -1.26 -4.65 116.66 111.38 1ddb n ARG 124 Ca -0.01 -0.52 -0.11 0.00 -1.00 0.00 0.00 57.85 56.22 1ddb n ARG 124 Cb 0.65 -0.99 -0.01 0.00 -1.05 0.00 0.00 32.46 31.06 1ddb n ARG 124 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1ddb h ASN 125 N 0.00 0.80 -0.08 2.89 7.08 -1.97 -0.89 115.58 123.42 1ddb h ASN 125 Ca 0.00 -0.34 0.04 0.00 -3.08 0.00 0.00 56.30 52.92 1ddb h ASN 125 Cb 0.02 -0.22 -0.06 0.00 -2.08 0.00 0.00 38.32 35.98 1ddb h ASN 125 CO 0.00 0.96 -0.35 0.00 -2.08 0.00 0.00 177.43 175.96 1ddb n LEU 127 N -5.42 0.00 -0.40 0.00 -0.00 -1.16 -1.72 117.00 108.30 1ddb n LEU 127 Ca -0.04 0.99 0.39 0.00 -0.00 0.00 0.00 56.01 57.35 1ddb n LEU 127 Cb 0.34 -0.49 0.76 0.00 -0.00 0.00 0.00 43.42 44.03 1ddb n LEU 127 CO 0.16 -0.49 1.36 0.00 -0.00 0.00 0.00 177.39 178.42 1ddb h ALA 128 N -1.85 3.28 0.00 1.47 0.00 -1.03 2.63 119.26 123.76 1ddb h ALA 128 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ddb h ALA 128 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ddb h ALA 128 CO 0.00 -1.68 -0.04 0.87 0.00 0.00 0.00 179.25 178.39 1ddb h LYS 129 N 0.00 0.00 -0.09 0.00 1.57 0.49 -1.80 116.57 116.75 1ddb h LYS 129 Ca 0.64 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.35 1ddb h LYS 129 Cb 2.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.92 1ddb h LYS 129 CO -0.01 0.04 -0.22 0.00 -0.57 0.00 0.00 179.45 178.69 1ddb h ALA 130 N 1.96 0.15 -0.93 3.86 0.00 0.51 -2.59 119.26 122.21 1ddb h ALA 130 Ca -0.00 -0.39 0.24 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 130 Cb 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1ddb h ALA 130 CO 0.01 0.11 0.02 1.37 0.00 0.00 0.00 179.25 180.76 1ddb h LEU 131 N -0.16 -0.45 -0.33 0.00 8.10 -1.19 1.90 115.31 123.18 1ddb h LEU 131 Ca -0.00 0.26 -0.07 0.00 0.11 0.00 0.00 57.88 58.18 1ddb h LEU 131 Cb 0.83 0.45 -0.01 0.00 -0.44 0.00 0.00 40.66 41.49 1ddb h LEU 131 CO 0.05 -0.30 -0.05 -0.78 -4.11 0.00 0.00 178.44 173.24 1ddb h ASP 132 N 0.04 0.62 0.78 0.17 3.58 -1.50 0.12 116.42 120.23 1ddb h ASP 132 Ca 0.55 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 1ddb h ASP 132 Cb 1.09 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.97 1ddb h ASP 132 CO -0.86 0.82 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.62 1ddb h GLU 133 N 0.41 -1.00 -0.98 0.28 3.07 0.17 0.36 114.58 116.88 1ddb h GLU 133 Ca 0.09 0.07 0.17 0.00 -0.50 0.00 0.00 59.36 59.18 1ddb h GLU 133 Cb 0.53 0.23 -0.09 0.00 -0.84 0.00 0.00 28.75 28.58 1ddb h GLU 133 CO 0.03 -0.67 0.61 -0.24 -1.40 0.00 0.00 179.01 177.34 1ddb h VAL 134 N -1.12 0.78 -0.12 3.13 3.04 0.23 1.87 116.25 124.06 1ddb h VAL 134 Ca -0.11 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1ddb h VAL 134 Cb 0.80 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1ddb h VAL 134 CO 0.17 0.14 0.00 2.29 -1.01 0.00 0.00 177.57 179.16 1ddb n LYS 135 N -4.66 1.34 -0.02 4.17 -0.00 0.43 -0.89 118.16 118.53 1ddb n LYS 135 Ca 0.21 -0.52 0.03 0.00 -0.00 0.00 0.00 58.31 58.03 1ddb n LYS 135 Cb 0.52 -1.22 -0.08 0.00 -0.00 0.00 0.00 35.03 34.25 1ddb n LYS 135 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ddb n THR 136 N -0.17 0.17 -0.10 0.58 5.66 0.61 -4.14 114.28 116.89 1ddb n THR 136 Ca 0.10 -0.28 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 1ddb n THR 136 Cb 0.15 0.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.87 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 -1.98 1.68 -2.88 1.79 0.00 0.36 -4.73 120.51 114.75 1ddb n ALA 137 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 53.44 52.29 1ddb n ALA 137 Cb 0.41 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.82 3.89 -2.01 0.00 -1.74 -0.06 -5.07 117.46 108.64 1ddb n PHE 138 Ca -0.39 -3.79 -0.32 0.00 -0.56 0.00 0.00 57.45 52.38 1ddb n PHE 138 Cb 0.79 -0.56 0.01 0.00 1.52 0.00 0.00 39.48 41.24 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.59 3.33 0.00 3.97 0.04 -1.24 -3.99 135.00 133.52 1ddb s PRO 139 Ca 0.48 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1ddb s PRO 139 Cb 0.27 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1ddb s PRO 139 CO -0.14 -0.80 0.00 0.54 0.04 0.00 0.00 177.00 176.64 1ddb n ARG 140 N -2.15 -1.34 0.00 4.56 5.12 -1.26 -4.55 116.66 117.04 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1ddb n ASP 141 N 1.91 0.00 0.10 0.55 5.75 -1.26 -3.36 116.55 120.25 1ddb n ASP 141 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.81 1ddb n ASP 141 Cb 0.00 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 40.49 1ddb n ASP 141 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ddb h MET 142 N 0.00 0.28 0.66 0.11 -0.00 -1.99 1.38 114.93 115.36 1ddb h MET 142 Ca 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.70 59.61 1ddb h MET 142 Cb 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 31.56 1ddb h MET 142 CO 0.00 0.36 -0.31 0.93 -0.00 0.00 0.00 176.91 177.89 1ddb h GLU 143 N 0.27 -0.85 0.36 -0.10 5.08 -1.95 -1.66 114.58 115.73 1ddb h GLU 143 Ca 0.06 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1ddb h GLU 143 Cb 0.29 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ddb h GLU 143 CO 0.01 -0.57 -0.17 -0.97 -1.00 0.00 0.00 179.01 176.32 1ddb h ASN 144 N -1.17 -0.41 -0.94 1.42 -0.00 -1.67 -0.77 115.58 112.05 1ddb h ASN 144 Ca -0.09 -0.14 0.14 0.00 -0.00 0.00 0.00 56.30 56.21 1ddb h ASN 144 Cb 0.67 0.10 -0.15 0.00 -0.00 0.00 0.00 38.32 38.95 1ddb h ASN 144 CO 0.15 0.03 -0.38 0.47 -0.00 0.00 0.00 177.43 177.70 1ddb n ASP 145 N -5.12 -0.64 0.06 1.15 9.92 0.47 0.32 116.55 122.71 1ddb n ASP 145 Ca -0.09 1.64 0.01 0.00 -0.53 0.00 0.00 54.79 55.82 1ddb n ASP 145 Cb 0.27 -0.36 0.33 0.00 -0.64 0.00 0.00 41.12 40.71 1ddb n ASP 145 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ddb h LYS 146 N 0.00 0.38 0.41 -1.24 1.79 -1.33 -2.32 116.57 114.26 1ddb h LYS 146 Ca 0.31 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1ddb h LYS 146 Cb 0.54 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1ddb h LYS 146 CO -0.93 0.49 -0.20 0.00 -1.08 0.00 0.00 179.45 177.74 1ddb h ALA 147 N 1.55 -0.55 -0.01 3.86 0.00 0.67 0.23 119.26 125.01 1ddb h ALA 147 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ddb h ALA 147 Cb 0.40 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1ddb h ALA 147 CO 0.02 -0.78 -0.41 0.52 0.00 0.00 0.00 179.25 178.61 1ddb h MET 148 N -0.62 -0.54 -0.76 0.00 2.86 0.80 -0.92 114.93 115.76 1ddb h MET 148 Ca -0.06 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1ddb h MET 148 Cb 0.46 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1ddb h MET 148 CO 0.09 -0.36 0.40 1.25 1.06 0.00 0.00 176.91 179.36 1ddb h LEU 149 N -0.56 0.55 -1.82 1.22 5.85 -1.37 0.30 115.31 119.48 1ddb h LEU 149 Ca 0.05 0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.05 1ddb h LEU 149 Cb 0.64 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1ddb h LEU 149 CO -0.31 0.31 0.59 0.40 -0.34 0.00 0.00 178.44 179.09 1ddb h ILE 150 N 0.68 0.62 0.56 4.05 1.08 0.76 -0.75 117.51 124.51 1ddb h ILE 150 Ca 0.37 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.76 1ddb h ILE 150 Cb 0.38 0.46 0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1ddb h ILE 150 CO -0.26 0.03 -0.27 0.24 -0.69 0.00 0.00 178.15 177.20 1ddb h MET 151 N 0.15 -0.72 -0.81 2.37 2.86 0.63 -0.78 114.93 118.62 1ddb h MET 151 Ca 0.42 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 58.30 1ddb h MET 151 Cb 1.42 0.16 -0.14 0.00 0.06 0.00 0.00 31.60 33.10 1ddb h MET 151 CO -0.07 -0.45 0.03 1.79 1.06 0.00 0.00 176.91 179.28 1ddb h THR 152 N -0.84 0.29 0.00 2.22 1.35 -1.06 1.40 112.91 116.27 1ddb h THR 152 Ca -0.08 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.70 1ddb h THR 152 Cb 0.61 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 1ddb h THR 152 CO 0.13 0.02 -0.21 0.24 -0.25 0.00 0.00 175.52 175.44 1ddb h MET 153 N 0.10 0.00 0.11 4.72 2.07 -1.32 -2.95 114.93 117.67 1ddb h MET 153 Ca 0.46 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 58.08 1ddb h MET 153 Cb 0.84 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.57 1ddb h MET 153 CO -0.71 0.21 -0.05 1.25 1.07 0.00 0.00 176.91 178.69 1ddb h LEU 154 N 0.00 -0.13 -0.04 1.22 7.12 0.34 1.21 115.31 125.03 1ddb h LEU 154 Ca -0.00 -0.09 0.04 0.00 0.13 0.00 0.00 57.88 57.95 1ddb h LEU 154 Cb 0.58 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.69 1ddb h LEU 154 CO 0.03 0.01 -0.29 -0.07 -0.13 0.00 0.00 178.44 177.99 1ddb h LEU 155 N -0.26 -0.89 0.49 2.25 -0.00 -1.19 0.36 115.31 116.07 1ddb h LEU 155 Ca -0.02 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1ddb h LEU 155 Cb 0.21 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1ddb h LEU 155 CO 0.03 -0.35 -0.23 0.00 -0.00 0.00 0.00 178.44 177.88 1ddb h ALA 156 N 0.39 -0.66 -0.81 1.53 0.00 -1.44 4.10 119.26 122.38 1ddb h ALA 156 Ca 0.07 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1ddb h ALA 156 Cb 0.52 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.42 1ddb h ALA 156 CO -0.28 -0.86 -0.29 -0.22 0.00 0.00 0.00 179.25 177.60 1ddb h LYS 157 N -0.68 -0.05 0.09 0.00 1.63 0.19 6.23 116.57 123.99 1ddb h LYS 157 Ca -0.07 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1ddb h LYS 157 Cb 0.52 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1ddb h LYS 157 CO 0.11 -0.03 -0.04 0.87 -3.45 0.00 0.00 179.45 176.90 1ddb h LYS 158 N -0.05 -0.12 -0.00 1.90 1.79 -0.01 -3.32 116.57 116.76 1ddb h LYS 158 Ca 0.34 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1ddb h LYS 158 Cb 0.59 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1ddb h LYS 158 CO -0.84 0.38 -0.36 0.28 -1.08 0.00 0.00 179.45 177.83 1ddb h VAL 159 N -0.90 0.24 -0.81 0.50 2.07 0.89 12.82 116.25 131.06 1ddb h VAL 159 Ca -0.01 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.80 1ddb h VAL 159 Cb 0.56 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 1ddb h VAL 159 CO 0.02 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.11 1ddb n ALA 160 N -2.82 0.81 0.01 1.67 0.00 2.01 0.26 120.51 122.45 1ddb n ALA 160 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ddb n ALA 160 Cb 0.35 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -4.10 0.46 -0.12 0.00 7.64 0.17 -4.27 113.62 113.40 1ddb n SER 161 Ca 0.25 -0.46 -0.25 0.00 1.01 0.00 0.00 58.87 59.43 1ddb n SER 161 Cb 0.95 1.00 -0.10 0.00 -1.01 0.00 0.00 64.21 65.05 1ddb n SER 161 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ddb n HIS 162 N -1.05 0.45 -3.22 1.43 -0.00 3.99 -4.68 115.22 112.14 1ddb n HIS 162 Ca 0.00 0.20 -0.25 0.00 -0.00 0.00 0.00 57.72 57.66 1ddb n HIS 162 Cb 0.00 -1.01 -0.06 0.00 -0.00 0.00 0.00 29.99 28.92 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb n ALA 163 N -3.90 3.68 1.50 1.57 0.00 0.73 -4.87 120.51 119.22 1ddb n ALA 163 Ca -0.42 -4.33 0.05 0.00 0.00 0.00 0.00 53.44 48.75 1ddb n ALA 163 Cb 0.76 -0.84 0.31 0.00 0.00 0.00 0.00 19.45 19.68 1ddb n ALA 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ddb n PRO 164 N 0.58 0.75 0.00 0.00 -0.04 -0.80 -2.24 135.00 133.25 1ddb n PRO 164 Ca 0.28 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1ddb n PRO 164 Cb 0.46 -1.22 0.33 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.72 2.04 -2.69 3.54 7.64 -1.26 -4.16 113.62 118.00 1ddb n SER 165 Ca 0.08 -1.64 -0.07 0.00 1.01 0.00 0.00 58.87 58.25 1ddb n SER 165 Cb 0.04 0.04 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 166 N 0.53 0.83 0.24 -3.43 4.77 -0.95 -4.90 117.00 114.09 1ddb n LEU 166 Ca 0.16 -3.57 0.16 0.00 -0.03 0.00 0.00 56.01 52.73 1ddb n LEU 166 Cb 0.45 0.36 0.70 0.00 -2.33 0.00 0.00 43.42 42.60 1ddb n LEU 166 CO 0.17 1.55 1.14 0.17 -1.33 0.00 0.00 177.39 179.09 1ddb h LEU 167 N 2.73 0.00 -0.12 2.23 8.10 -1.72 0.24 115.31 126.77 1ddb h LEU 167 Ca -0.14 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.84 1ddb h LEU 167 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.43 1ddb h LEU 167 CO 0.35 0.00 0.06 0.08 -4.11 0.00 0.00 178.44 174.82 1ddb h ARG 168 N 0.00 0.17 -0.30 0.17 0.11 -1.92 -2.38 114.38 110.23 1ddb h ARG 168 Ca 0.08 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.06 1ddb h ARG 168 Cb 1.01 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.05 1ddb h ARG 168 CO -0.00 0.21 -0.12 0.22 0.10 0.00 0.00 179.97 180.38 1ddb h ASP 169 N 0.08 0.48 -0.10 0.08 3.58 -0.91 -2.51 116.42 117.12 1ddb h ASP 169 Ca 0.04 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.39 1ddb h ASP 169 Cb 0.10 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.96 1ddb h ASP 169 CO -0.01 0.64 -0.53 0.58 -2.88 0.00 0.00 179.24 177.04 1ddb h VAL 170 N 0.46 0.00 -0.06 2.25 2.07 -1.08 0.51 116.25 120.40 1ddb h VAL 170 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1ddb h VAL 170 Cb 0.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1ddb h VAL 170 CO 0.03 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.28 1ddb h PHE 171 N -0.59 -0.20 -0.89 1.57 -1.00 -1.37 -1.80 116.94 112.67 1ddb h PHE 171 Ca 0.03 0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.02 1ddb h PHE 171 Cb 0.67 0.10 -0.12 0.00 3.61 0.00 0.00 35.95 40.21 1ddb h PHE 171 CO -0.57 -0.12 0.42 1.25 -1.61 0.00 0.00 178.31 177.68 1ddb h HIS 172 N -0.11 0.71 -0.19 -0.55 2.76 -0.94 0.71 115.15 117.54 1ddb h HIS 172 Ca 0.05 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1ddb h HIS 172 Cb 0.18 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 1ddb h HIS 172 CO -0.17 0.03 -0.19 1.15 -1.30 0.00 0.00 177.93 177.44 1ddb h THR 173 N 0.48 0.49 0.11 6.26 2.02 0.89 1.92 112.91 125.07 1ddb h THR 173 Ca 0.54 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.71 1ddb h THR 173 Cb 0.95 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ddb h THR 173 CO -0.48 0.00 -0.07 0.71 0.37 0.00 0.00 175.52 176.06 1ddb h THR 174 N -0.21 0.00 0.00 3.16 1.35 -0.65 -1.62 112.91 114.93 1ddb h THR 174 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1ddb h THR 174 Cb 0.39 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1ddb h THR 174 CO -0.32 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.47 1ddb n VAL 175 N -2.57 0.00 0.00 6.82 0.31 -0.59 -3.02 118.33 119.28 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 -0.24 -0.06 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 0.11 -0.10 -0.14 4.52 7.08 0.41 -2.45 115.58 125.01 1ddb h ASN 176 Ca 0.00 -0.32 -0.04 0.00 -3.08 0.00 0.00 56.30 52.86 1ddb h ASN 176 Cb 0.06 0.03 -0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1ddb h ASN 176 CO 0.00 0.52 -0.06 -0.26 -2.08 0.00 0.00 177.43 175.54 1ddb h PHE 177 N -0.98 0.33 0.23 4.14 -1.00 -1.53 0.95 116.94 119.09 1ddb h PHE 177 Ca -0.01 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.70 1ddb h PHE 177 Cb 0.42 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.87 1ddb h PHE 177 CO 0.09 0.61 -0.44 0.82 -1.61 0.00 0.00 178.31 177.78 1ddb h ILE 178 N -0.05 0.12 -0.76 -0.55 2.04 -1.68 0.10 117.51 116.72 1ddb h ILE 178 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1ddb h ILE 178 Cb 0.52 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1ddb h ILE 178 CO 0.02 0.00 0.50 -0.55 0.00 0.00 0.00 178.15 178.12 1ddb h ASN 179 N -0.75 0.80 0.00 1.72 -1.07 -1.47 0.47 115.58 115.28 1ddb h ASN 179 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1ddb h ASN 179 Cb 0.73 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 1ddb h ASN 179 CO -0.19 0.55 0.00 1.67 0.07 0.00 0.00 177.43 179.54 1ddb n GLN 180 N -4.45 0.00 0.00 4.14 -0.06 0.33 -1.87 117.38 115.47 1ddb n GLN 180 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1ddb n GLN 180 Cb 0.12 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.30 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1ddb n ASN 181 N 0.00 0.36 -2.03 1.69 2.85 -0.96 -3.90 115.26 113.27 1ddb n ASN 181 Ca 0.00 -0.67 -0.22 0.00 -0.11 0.00 0.00 54.58 53.58 1ddb n ASN 181 Cb 0.00 0.45 0.09 0.00 1.24 0.00 0.00 39.78 41.56 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ddb n LEU 182 N -0.45 6.54 -3.93 1.20 7.99 0.22 -4.89 117.00 123.67 1ddb n LEU 182 Ca 0.00 -3.49 -0.09 0.00 -0.01 0.00 0.00 56.01 52.43 1ddb n LEU 182 Cb 0.02 -0.91 -0.03 0.00 -0.11 0.00 0.00 43.42 42.40 1ddb n LEU 182 CO 0.00 1.16 0.78 0.33 -1.51 0.00 0.00 177.39 178.15 1ddb n PHE 183 N -0.47 0.04 -1.63 -1.77 7.35 0.16 -3.94 117.46 117.20 1ddb n PHE 183 Ca 0.46 -0.10 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1ddb n PHE 183 Cb 0.93 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 40.19 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 5.37 -7.58 -4.25 -2.13 7.64 -1.26 -4.30 113.62 107.12 1ddb n SER 184 Ca 0.10 1.13 -0.28 0.00 1.01 0.00 0.00 58.87 60.83 1ddb n SER 184 Cb 0.33 -4.62 -0.09 0.00 -1.01 0.00 0.00 64.21 58.81 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n TYR 185 N -0.73 1.43 -0.33 1.43 9.36 -1.26 -4.69 117.16 122.37 1ddb n TYR 185 Ca 0.00 -0.85 0.26 0.00 3.32 0.00 0.00 57.90 60.63 1ddb n TYR 185 Cb 0.00 -2.15 0.50 0.00 -0.63 0.00 0.00 39.34 37.06 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1ddb h VAL 186 N 5.91 0.20 -0.60 2.97 -1.51 -1.92 1.13 116.25 122.42 1ddb h VAL 186 Ca 0.17 -0.07 0.10 0.00 -1.23 0.00 0.00 66.70 65.67 1ddb h VAL 186 Cb 0.88 -0.03 -0.08 0.00 -2.13 0.00 0.00 31.29 29.93 1ddb h VAL 186 CO 1.40 0.04 0.19 -0.09 -1.23 0.00 0.00 177.57 177.87 1ddb h ARG 187 N 0.21 0.34 -0.15 5.19 2.43 -1.97 0.29 114.38 120.72 1ddb h ARG 187 Ca 0.76 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.91 1ddb h ARG 187 Cb 1.83 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.30 1ddb h ARG 187 CO -0.67 0.22 0.09 -0.97 -1.51 0.00 0.00 179.97 177.13 1ddb h ASN 188 N 0.35 0.18 -0.47 -3.80 -1.24 0.92 -1.12 115.58 110.39 1ddb h ASN 188 Ca 0.31 -0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.33 1ddb h ASN 188 Cb 0.42 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.36 1ddb h ASN 188 CO -0.34 0.20 0.11 0.25 -1.29 0.00 0.00 177.43 176.36 1ddb h LEU 189 N 0.15 0.05 -0.47 0.34 7.12 -0.50 0.13 115.31 122.12 1ddb h LEU 189 Ca 0.05 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1ddb h LEU 189 Cb 0.05 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.22 1ddb h LEU 189 CO -0.01 0.06 0.13 0.58 -0.13 0.00 0.00 178.44 179.07 1ddb h VAL 190 N 0.26 0.79 -0.24 1.05 2.07 -0.07 0.12 116.25 120.22 1ddb h VAL 190 Ca 0.23 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1ddb h VAL 190 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1ddb h VAL 190 CO -0.29 0.05 0.09 0.03 0.02 0.00 0.00 177.57 177.47 1ddb h ARG 191 N 0.28 0.20 -0.38 1.57 3.08 0.13 -2.35 114.38 116.91 1ddb h ARG 191 Ca 0.23 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.33 1ddb h ARG 191 Cb 0.28 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1ddb h ARG 191 CO -0.27 0.13 0.06 -0.97 -1.07 0.00 0.00 179.97 177.85 1ddb h ASN 192 N 0.20 -0.02 -3.18 7.04 -1.24 0.17 -3.39 115.58 115.16 1ddb h ASN 192 Ca 0.10 0.07 -0.54 0.00 0.71 0.00 0.00 56.30 56.64 1ddb h ASN 192 Cb 0.06 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1ddb h ASN 192 CO -0.10 0.02 0.59 -0.70 -1.29 0.00 0.00 177.43 175.95 1ddb s GLU 193 N -6.17 4.42 -0.22 6.67 2.12 0.32 -4.92 118.70 120.92 1ddb s GLU 193 Ca -0.13 1.70 -0.07 0.00 0.36 0.00 0.00 54.97 56.83 1ddb s GLU 193 Cb 0.13 -3.43 -0.11 0.00 0.26 0.00 0.00 34.13 30.98 1ddb s GLU 193 CO 0.71 -0.30 -0.25 -0.12 -0.54 0.00 0.00 175.26 174.76 1ddb n MET 194 N 4.36 0.48 0.00 4.30 0.00 -1.26 -4.82 117.12 120.19 1ddb n MET 194 Ca 0.09 0.18 0.00 0.00 -0.00 0.00 0.00 57.70 57.97 1ddb n MET 194 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1ddb n MET 194 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57