#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdn s SER 2 N 0.00 4.21 0.32 4.39 1.04 -1.26 -4.67 113.70 117.73 1cdn s SER 2 Ca 0.00 2.22 0.09 0.00 0.48 0.00 0.00 55.95 58.75 1cdn s SER 2 Cb 0.00 -2.57 0.96 0.00 0.10 0.00 0.00 66.02 64.51 1cdn s SER 2 CO 0.00 -2.25 1.62 -0.65 0.98 0.00 0.00 173.24 172.95 1cdn h PRO 3 N -0.53 0.15 -0.24 4.02 0.11 -2.02 0.19 132.00 133.68 1cdn h PRO 3 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1cdn h PRO 3 Cb 1.28 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1cdn h PRO 3 CO 0.49 0.10 0.14 0.93 -0.21 0.00 0.00 178.00 179.45 1cdn h GLU 4 N 0.16 0.27 -0.50 1.05 3.07 -1.99 0.18 114.58 116.83 1cdn h GLU 4 Ca 0.67 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.49 1cdn h GLU 4 Cb 1.53 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.36 1cdn h GLU 4 CO -0.72 0.18 0.21 0.93 -1.40 0.00 0.00 179.01 178.22 1cdn h GLU 5 N 0.28 0.73 -0.93 2.33 5.08 -1.10 0.09 114.58 121.07 1cdn h GLU 5 Ca 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1cdn h GLU 5 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1cdn h GLU 5 CO -0.05 0.64 0.56 -0.07 -1.00 0.00 0.00 179.01 179.09 1cdn h LEU 6 N 0.66 1.11 -0.41 1.33 3.38 -0.53 0.14 115.31 120.99 1cdn h LEU 6 Ca 0.17 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1cdn h LEU 6 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1cdn h LEU 6 CO -0.02 0.85 0.25 0.50 0.09 0.00 0.00 178.44 180.12 1cdn h LYS 7 N 1.28 0.49 -0.00 1.13 1.63 -0.29 0.19 116.57 120.99 1cdn h LYS 7 Ca 0.33 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.13 1cdn h LYS 7 Cb -0.05 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.42 1cdn h LYS 7 CO -0.06 0.33 -0.22 0.78 -3.45 0.00 0.00 179.45 176.82 1cdn h GLY 8 N 0.51 -0.32 0.14 5.01 0.00 0.45 0.11 103.07 108.97 1cdn h GLY 8 Ca 0.16 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.79 1cdn h GLY 8 CO -0.06 -0.19 -0.38 -2.22 0.00 0.00 0.00 176.54 173.68 1cdn h ILE 9 N -0.35 0.20 -0.50 2.60 2.04 -0.71 0.78 117.51 121.56 1cdn h ILE 9 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1cdn h ILE 9 Cb 0.44 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 36.61 1cdn h ILE 9 CO -0.21 0.00 -0.16 0.15 0.00 0.00 0.00 178.15 177.93 1cdn h PHE 10 N -0.50 -0.38 0.27 1.37 3.04 0.05 -0.38 116.94 120.41 1cdn h PHE 10 Ca 0.07 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1cdn h PHE 10 Cb 0.61 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1cdn h PHE 10 CO -0.42 -0.25 -0.13 0.93 -2.02 0.00 0.00 178.31 176.41 1cdn h GLU 11 N -0.04 -0.35 -0.77 1.11 5.08 -0.45 0.15 114.58 119.30 1cdn h GLU 11 Ca 0.24 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.75 1cdn h GLU 11 Cb 0.41 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.61 1cdn h GLU 11 CO -0.54 -0.16 -0.35 -0.22 -1.00 0.00 0.00 179.01 176.74 1cdn h LYS 12 N -0.46 -0.08 0.03 2.33 3.64 0.03 0.94 116.57 122.99 1cdn h LYS 12 Ca -0.04 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1cdn h LYS 12 Cb 0.35 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1cdn h LYS 12 CO 0.06 -0.06 -0.30 1.88 -2.27 0.00 0.00 179.45 178.77 1cdn h TYR 13 N -0.09 0.24 -0.76 1.91 0.05 -1.02 -3.21 116.97 114.11 1cdn h TYR 13 Ca 0.29 -0.15 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1cdn h TYR 13 Cb 0.57 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1cdn h TYR 13 CO -0.73 1.03 0.50 0.00 -1.05 0.00 0.00 178.16 177.91 1cdn h ALA 14 N 0.15 1.55 0.00 3.88 0.00 -0.34 0.35 119.26 124.85 1cdn h ALA 14 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1cdn h ALA 14 Cb 1.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1cdn h ALA 14 CO 0.06 0.38 -0.16 0.00 0.00 0.00 0.00 179.25 179.52 1cdn h ALA 15 N 1.56 1.02 -0.03 0.00 0.00 -0.94 -3.14 119.26 117.73 1cdn h ALA 15 Ca 0.30 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.38 1cdn h ALA 15 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1cdn h ALA 15 CO -0.09 0.20 2.84 1.17 0.00 0.00 0.00 179.25 183.37 1cdn n LYS 16 N -3.31 2.44 -2.29 0.00 4.81 0.11 -4.46 118.16 115.46 1cdn n LYS 16 Ca 0.00 -2.39 -0.00 0.00 -0.87 0.00 0.00 58.31 55.06 1cdn n LYS 16 Cb 0.40 -3.19 -0.00 0.00 0.02 0.00 0.00 35.03 32.26 1cdn n LYS 16 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cdn n GLU 17 N 6.46 -3.92 -2.23 1.64 0.28 -1.26 -4.84 120.64 116.76 1cdn n GLU 17 Ca 0.51 2.85 0.00 0.00 -0.16 0.00 0.00 57.16 60.36 1cdn n GLU 17 Cb 0.40 -3.70 0.00 0.00 1.43 0.00 0.00 31.44 29.56 1cdn n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cdn n GLY 18 N 1.90 0.06 3.60 -1.84 0.00 -1.19 -4.67 105.19 103.04 1cdn n GLY 18 Ca -0.01 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1cdn n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cdn s ASP 19 N -4.00 4.86 0.58 1.61 -1.08 -1.08 -4.82 116.67 112.74 1cdn s ASP 19 Ca 0.00 0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.32 1cdn s ASP 19 Cb 0.00 -1.39 1.50 0.00 -1.46 0.00 0.00 42.92 41.57 1cdn s ASP 19 CO 0.00 0.33 1.93 1.55 0.52 0.00 0.00 175.17 179.50 1cdn h PRO 20 N 5.53 0.00 -0.01 4.34 0.13 -1.91 0.90 132.00 140.97 1cdn h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cdn h PRO 20 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cdn h PRO 20 CO 0.55 0.00 -0.25 0.09 -0.23 0.00 0.00 178.00 178.16 1cdn n ASN 21 N -3.81 1.31 -3.52 1.44 3.02 -1.26 -4.50 115.26 107.93 1cdn n ASN 21 Ca 0.08 -1.11 -0.05 0.00 -0.03 0.00 0.00 54.58 53.47 1cdn n ASN 21 Cb 0.63 0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 1cdn n ASN 21 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1cdn s GLN 22 N -2.41 0.43 0.05 3.52 0.74 0.31 -3.30 119.66 119.00 1cdn s GLN 22 Ca 0.25 1.05 -0.30 0.00 0.05 0.00 0.00 55.36 56.41 1cdn s GLN 22 Cb 0.19 0.35 -0.05 0.00 1.10 0.00 0.00 33.01 34.61 1cdn s GLN 22 CO 0.49 -0.37 1.04 -0.51 -0.55 0.00 0.00 175.29 175.40 1cdn s LEU 23 N 2.71 4.41 0.63 3.68 1.43 0.40 -2.64 118.68 129.30 1cdn s LEU 23 Ca 0.03 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1cdn s LEU 23 Cb -0.13 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1cdn s LEU 23 CO -0.16 -0.26 1.04 -0.94 0.23 0.00 0.00 176.35 176.25 1cdn s SER 24 N 0.71 5.95 0.15 2.29 1.04 -1.26 -0.63 113.70 121.95 1cdn s SER 24 Ca 0.52 1.54 -0.16 0.00 0.48 0.00 0.00 55.95 58.33 1cdn s SER 24 Cb -0.24 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1cdn s SER 24 CO 0.29 -1.06 1.80 0.50 0.98 0.00 0.00 173.24 175.76 1cdn h LYS 25 N -0.24 0.52 -0.57 4.02 3.64 -1.95 0.45 116.57 122.46 1cdn h LYS 25 Ca -0.44 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1cdn h LYS 25 Cb 1.20 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1cdn h LYS 25 CO 0.60 0.36 0.06 0.93 -2.27 0.00 0.00 179.45 179.12 1cdn h GLU 26 N 0.53 0.96 -0.28 1.90 4.39 -1.95 0.70 114.58 120.82 1cdn h GLU 26 Ca 0.14 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1cdn h GLU 26 Cb -0.04 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1cdn h GLU 26 CO -0.03 0.94 0.10 0.93 -1.16 0.00 0.00 179.01 179.79 1cdn h GLU 27 N 0.85 0.23 -0.66 2.33 3.07 -1.77 0.11 114.58 118.74 1cdn h GLU 27 Ca 0.17 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.12 1cdn h GLU 27 Cb 0.47 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.24 1cdn h GLU 27 CO 0.02 0.15 0.24 -0.07 -1.40 0.00 0.00 179.01 177.95 1cdn h LEU 28 N 0.23 0.23 0.02 1.33 3.38 -0.54 0.14 115.31 120.10 1cdn h LEU 28 Ca 0.12 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1cdn h LEU 28 Cb 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1cdn h LEU 28 CO -0.12 0.12 -0.06 0.50 0.09 0.00 0.00 178.44 178.96 1cdn h LYS 29 N 0.41 -0.12 -0.34 1.13 3.64 0.60 0.28 116.57 122.18 1cdn h LYS 29 Ca 0.34 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1cdn h LYS 29 Cb 0.46 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1cdn h LYS 29 CO -0.35 -0.08 0.21 -0.07 -2.27 0.00 0.00 179.45 176.90 1cdn h LEU 30 N -0.12 0.35 0.05 5.20 -0.00 -0.58 0.93 115.31 121.14 1cdn h LEU 30 Ca 0.02 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1cdn h LEU 30 Cb 0.15 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.67 1cdn h LEU 30 CO -0.06 0.26 -0.45 0.25 -0.00 0.00 0.00 178.44 178.44 1cdn h LEU 31 N 0.43 -1.37 0.31 1.67 6.46 -0.44 0.49 115.31 122.86 1cdn h LEU 31 Ca 0.13 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1cdn h LEU 31 Cb -0.02 0.52 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1cdn h LEU 31 CO -0.05 -0.49 -0.46 -0.07 -0.62 0.00 0.00 178.44 176.75 1cdn h LEU 32 N -0.64 -1.29 -0.14 2.25 3.38 -0.15 0.14 115.31 118.86 1cdn h LEU 32 Ca 0.03 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1cdn h LEU 32 Cb 0.69 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1cdn h LEU 32 CO -0.30 -0.57 -0.25 -0.61 0.09 0.00 0.00 178.44 176.80 1cdn h GLN 33 N -0.82 -0.29 -0.04 1.13 -0.00 -0.68 0.25 115.11 114.66 1cdn h GLN 33 Ca -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 1cdn h GLN 33 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.32 1cdn h GLN 33 CO -0.15 -0.20 -0.19 1.15 0.00 0.00 0.00 178.83 179.45 1cdn h THR 34 N -0.31 1.47 0.10 2.39 2.02 -0.72 -3.29 112.91 114.57 1cdn h THR 34 Ca 0.10 -1.65 -0.35 0.00 0.77 0.00 0.00 66.41 65.28 1cdn h THR 34 Cb 0.46 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 1cdn h THR 34 CO -0.32 0.46 -1.96 -0.62 0.37 0.00 0.00 175.52 173.44 1cdn n GLU 35 N -4.57 0.73 -3.18 6.66 -0.58 0.48 -4.69 120.64 115.49 1cdn n GLU 35 Ca -0.09 0.26 -0.21 0.00 -0.42 0.00 0.00 57.16 56.71 1cdn n GLU 35 Cb 0.43 -1.72 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 1cdn n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1cdn n PHE 36 N -3.38 0.51 0.32 -0.32 3.72 0.86 -4.93 117.46 114.24 1cdn n PHE 36 Ca -0.29 -3.78 0.19 0.00 -0.05 0.00 0.00 57.45 53.52 1cdn n PHE 36 Cb 1.05 -0.41 1.07 0.00 -0.94 0.00 0.00 39.48 40.24 1cdn n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1cdn h PRO 37 N 3.30 0.00 -0.53 -1.08 0.13 -1.53 -0.92 132.00 131.37 1cdn h PRO 37 Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 1cdn h PRO 37 Cb 0.89 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.92 1cdn h PRO 37 CO 0.53 0.01 -0.26 0.66 -0.23 0.00 0.00 178.00 178.71 1cdn h SER 38 N 0.00 -0.88 0.23 1.44 4.64 -1.91 -1.22 113.55 115.84 1cdn h SER 38 Ca -0.00 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1cdn h SER 38 Cb 0.04 0.47 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1cdn h SER 38 CO 0.00 -0.27 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.58 1cdn h LEU 39 N -0.13 0.00 -0.93 5.97 3.38 -1.50 0.22 115.31 122.32 1cdn h LEU 39 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1cdn h LEU 39 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1cdn h LEU 39 CO -0.61 0.04 -0.25 -0.07 0.09 0.00 0.00 178.44 177.64 1cdn h LEU 40 N 0.00 0.00-10.07 1.67 3.38 -1.30 -3.32 115.31 105.67 1cdn h LEU 40 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1cdn h LEU 40 Cb 0.17 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.00 1cdn h LEU 40 CO 0.01 0.25 0.47 -0.54 0.09 0.00 0.00 178.44 178.71 1cdn s LYS 41 N -3.55 3.29 0.00 1.13 1.02 0.06 -2.82 119.74 118.87 1cdn s LYS 41 Ca 0.01 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.76 1cdn s LYS 41 Cb 0.10 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1cdn s LYS 41 CO 0.65 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1cdn n GLY 42 N 0.37 1.09 5.00 -3.33 0.00 -1.26 -4.84 105.19 102.22 1cdn n GLY 42 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1cdn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cdn n GLY 43 N 0.00 1.04 7.00 -0.02 0.00 -1.13 -4.89 105.19 107.19 1cdn n GLY 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cdn n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cdn n SER 44 N 2.46 0.00 -3.94 1.61 3.41 -1.26 -4.35 113.62 111.55 1cdn n SER 44 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1cdn n SER 44 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1cdn n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cdn s THR 45 N 0.00 0.11 0.28 6.66 -4.23 -1.26 -5.02 115.64 112.18 1cdn s THR 45 Ca 0.00 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1cdn s THR 45 Cb 0.00 -0.20 0.27 0.00 1.34 0.00 0.00 72.50 73.91 1cdn s THR 45 CO 0.00 -0.27 1.72 0.25 -0.54 0.00 0.00 174.62 175.78 1cdn h LEU 46 N 5.27 0.40 0.19 4.79 5.85 -2.00 0.02 115.31 129.84 1cdn h LEU 46 Ca -0.29 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1cdn h LEU 46 Cb 1.21 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1cdn h LEU 46 CO 0.45 0.08 -0.21 0.44 -0.34 0.00 0.00 178.44 178.86 1cdn h ASP 47 N 0.48 -0.56 -0.27 1.25 5.19 -1.95 0.26 116.42 120.81 1cdn h ASP 47 Ca 0.52 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 57.03 1cdn h ASP 47 Cb 0.90 0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1cdn h ASP 47 CO -0.46 -0.31 0.01 -0.08 -3.12 0.00 0.00 179.24 175.27 1cdn h GLU 48 N -0.44 0.09 -0.23 3.56 4.57 -1.70 0.13 114.58 120.56 1cdn h GLU 48 Ca 0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1cdn h GLU 48 Cb 0.42 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1cdn h GLU 48 CO -0.06 0.06 0.13 1.25 -1.18 0.00 0.00 179.01 179.21 1cdn h LEU 49 N 0.09 0.21 -0.30 1.64 5.85 -0.81 0.64 115.31 122.64 1cdn h LEU 49 Ca 0.13 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1cdn h LEU 49 Cb 0.16 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1cdn h LEU 49 CO -0.21 0.16 0.01 0.15 -0.34 0.00 0.00 178.44 178.21 1cdn h PHE 50 N 0.27 0.00 -0.12 1.25 3.57 0.04 0.49 116.94 122.46 1cdn h PHE 50 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1cdn h PHE 50 Cb -0.00 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1cdn h PHE 50 CO -0.08 -0.04 0.04 0.93 -2.23 0.00 0.00 178.31 176.93 1cdn h GLU 51 N 0.10 0.09 -0.66 1.11 5.08 -0.40 0.22 114.58 120.12 1cdn h GLU 51 Ca 0.14 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1cdn h GLU 51 Cb 0.18 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1cdn h GLU 51 CO -0.23 0.06 0.29 1.49 -1.00 0.00 0.00 179.01 179.61 1cdn h GLU 52 N 0.09 0.47 -0.06 2.33 4.57 -0.31 -2.78 114.58 118.90 1cdn h GLU 52 Ca 0.05 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1cdn h GLU 52 Cb 0.03 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1cdn h GLU 52 CO -0.05 0.31 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.86 1cdn h LEU 53 N 0.49 0.24 -6.07 1.64 3.38 -0.59 -3.36 115.31 111.05 1cdn h LEU 53 Ca 0.34 -0.61 -0.66 0.00 0.09 0.00 0.00 57.88 57.04 1cdn h LEU 53 Cb 0.40 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cdn h LEU 53 CO -0.30 0.81 2.82 -0.67 0.09 0.00 0.00 178.44 181.19 1cdn n ASP 54 N -4.59 3.78 -0.06 -0.43 2.03 0.73 -4.57 116.55 113.45 1cdn n ASP 54 Ca -0.08 -2.72 0.02 0.00 0.52 0.00 0.00 54.79 52.53 1cdn n ASP 54 Cb 0.40 -1.39 0.35 0.00 -0.72 0.00 0.00 41.12 39.76 1cdn n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cdn h LYS 55 N 6.70 0.66 -0.96 -0.67 1.79 -1.72 -3.01 116.57 119.37 1cdn h LYS 55 Ca 0.53 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.96 1cdn h LYS 55 Cb 0.59 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1cdn h LYS 55 CO 1.88 0.48 0.63 -2.95 -1.08 0.00 0.00 179.45 178.41 1cdn h ASN 56 N 0.68 1.08 0.00 0.86 7.08 -1.90 -3.47 115.58 119.91 1cdn h ASN 56 Ca 0.18 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.37 1cdn h ASN 56 Cb 0.00 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 35.98 1cdn h ASN 56 CO -0.03 0.77 0.00 0.61 -2.08 0.00 0.00 177.43 176.70 1cdn n GLY 57 N -1.39 0.73 0.00 9.14 0.00 -1.14 -4.98 105.19 107.56 1cdn n GLY 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1cdn n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdn n ASP 58 N 0.00 0.00 -0.19 1.61 5.75 -1.26 -4.82 116.55 117.63 1cdn n ASP 58 Ca 0.00 -1.83 -0.01 0.00 -0.01 0.00 0.00 54.79 52.94 1cdn n ASP 58 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1cdn n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdn n GLY 59 N 0.42 0.48 3.54 6.12 0.00 -1.26 -5.04 105.19 109.44 1cdn n GLY 59 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1cdn n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cdn s GLU 60 N -4.28 1.34 -0.28 1.61 2.02 -1.26 -4.75 118.70 113.10 1cdn s GLU 60 Ca 0.00 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.36 1cdn s GLU 60 Cb -0.00 0.57 0.01 0.00 0.10 0.00 0.00 34.13 34.80 1cdn s GLU 60 CO 0.01 -0.59 0.06 0.08 0.02 0.00 0.00 175.26 174.83 1cdn s VAL 61 N -3.70 3.89 0.46 2.63 1.01 0.20 -4.70 120.40 120.19 1cdn s VAL 61 Ca 0.04 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1cdn s VAL 61 Cb -0.02 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 1cdn s VAL 61 CO -0.08 0.13 0.97 -0.44 0.00 0.00 0.00 175.10 175.69 1cdn s SER 62 N 1.50 6.75 0.24 3.32 0.01 -1.26 -0.46 113.70 123.80 1cdn s SER 62 Ca 0.03 1.72 -0.05 0.00 1.31 0.00 0.00 55.95 58.96 1cdn s SER 62 Cb -0.17 -2.54 0.43 0.00 0.21 0.00 0.00 66.02 63.96 1cdn s SER 62 CO 0.02 -0.50 1.73 0.15 0.41 0.00 0.00 173.24 175.05 1cdn h PHE 63 N 1.65 0.47 -0.14 2.43 3.57 -1.96 0.17 116.94 123.14 1cdn h PHE 63 Ca -0.49 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.06 1cdn h PHE 63 Cb 1.19 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1cdn h PHE 63 CO 0.61 0.05 0.09 1.05 -2.23 0.00 0.00 178.31 177.89 1cdn h GLU 64 N 0.42 0.15 0.00 1.11 9.09 -1.93 -2.45 114.58 120.97 1cdn h GLU 64 Ca 0.40 -0.01 -0.25 0.00 0.05 0.00 0.00 59.36 59.55 1cdn h GLU 64 Cb 0.60 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.62 1cdn h GLU 64 CO -0.40 0.10 -1.92 -0.85 0.05 0.00 0.00 179.01 175.99 1cdn n GLU 65 N -4.52 0.65 0.10 1.06 0.28 -0.18 -3.65 120.64 114.40 1cdn n GLU 65 Ca -0.01 0.10 0.20 0.00 -0.16 0.00 0.00 57.16 57.29 1cdn n GLU 65 Cb 0.10 -1.66 0.75 0.00 1.43 0.00 0.00 31.44 32.06 1cdn n GLU 65 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1cdn h PHE 66 N 0.00 0.00 -0.42 -1.84 3.57 -0.39 0.12 116.94 117.98 1cdn h PHE 66 Ca -0.32 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.30 1cdn h PHE 66 Cb 1.86 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.59 1cdn h PHE 66 CO 0.00 0.00 0.51 1.96 -2.23 0.00 0.00 178.31 178.55 1cdn h GLN 67 N 0.00 0.00 -0.29 1.11 1.08 -1.52 0.34 115.11 115.83 1cdn h GLN 67 Ca 0.18 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1cdn h GLN 67 Cb 1.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1cdn h GLN 67 CO -0.00 0.00 0.15 0.28 -0.95 0.00 0.00 178.83 178.30 1cdn h VAL 68 N 0.00 1.10 -0.09 -0.54 2.07 -1.01 0.24 116.25 118.02 1cdn h VAL 68 Ca 0.20 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1cdn h VAL 68 Cb 1.23 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1cdn h VAL 68 CO -0.00 0.11 -0.25 0.25 0.02 0.00 0.00 177.57 177.70 1cdn h LEU 69 N 0.40 0.37 -0.85 2.57 6.46 -0.51 -1.05 115.31 122.72 1cdn h LEU 69 Ca 0.10 -0.59 0.09 0.00 -0.12 0.00 0.00 57.88 57.36 1cdn h LEU 69 Cb 0.03 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 1cdn h LEU 69 CO -0.02 0.90 0.50 0.58 -0.62 0.00 0.00 178.44 179.79 1cdn h VAL 70 N -0.13 0.94 0.32 1.05 2.07 -1.14 0.12 116.25 119.48 1cdn h VAL 70 Ca -0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1cdn h VAL 70 Cb 0.86 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1cdn h VAL 70 CO 0.05 0.16 -0.30 0.50 0.02 0.00 0.00 177.57 178.00 1cdn h LYS 71 N 0.85 -0.62 -0.61 1.57 3.64 -0.43 0.12 116.57 121.09 1cdn h LYS 71 Ca 0.40 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.95 1cdn h LYS 71 Cb 0.32 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 1cdn h LYS 71 CO -0.23 -0.42 0.04 0.87 -2.27 0.00 0.00 179.45 177.45 1cdn h LYS 72 N -0.65 0.15 -0.14 1.90 6.56 -0.27 -1.53 116.57 122.60 1cdn h LYS 72 Ca -0.02 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.59 1cdn h LYS 72 Cb 0.58 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 1cdn h LYS 72 CO -0.05 0.10 -0.04 0.82 -2.06 0.00 0.00 179.45 178.22 1cdn h ILE 73 N 0.16 0.84 0.00 1.86 1.08 -0.48 -3.45 117.51 117.51 1cdn h ILE 73 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.79 1cdn h ILE 73 Cb 0.52 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1cdn h ILE 73 CO -0.49 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 176.73 1cdn n SER 74 N -5.18 0.00 0.00 1.72 2.88 0.39 -5.10 113.62 108.33 1cdn n SER 74 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1cdn n SER 74 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81