#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 4.15 0.31 4.39 1.04 -1.26 -4.75 113.70 117.59 1cdn s SER 2 Ca 0.00 1.81 0.08 0.00 0.48 0.00 0.00 55.95 58.33 1cdn s SER 2 Cb 0.00 -2.48 0.90 0.00 0.10 0.00 0.00 66.02 64.54 1cdn s SER 2 CO 0.00 -2.26 1.67 -0.65 0.98 0.00 0.00 173.24 172.98 1cdn h PRO 3 N -1.28 0.31 -0.40 4.02 0.11 -2.05 0.17 132.00 132.87 1cdn h PRO 3 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1cdn h PRO 3 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1cdn h PRO 3 CO 0.51 0.20 0.21 0.93 -0.21 0.00 0.00 178.00 179.64 1cdn h GLU 4 N 0.32 0.57 -0.38 1.05 5.08 -1.99 0.97 114.58 120.19 1cdn h GLU 4 Ca 0.64 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.88 1cdn h GLU 4 Cb 1.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1cdn h GLU 4 CO -0.60 0.47 0.06 0.93 -1.00 0.00 0.00 179.01 178.86 1cdn h GLU 5 N 0.52 0.64 -0.79 2.33 5.08 -1.41 -0.01 114.58 120.94 1cdn h GLU 5 Ca 0.14 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1cdn h GLU 5 Cb 0.07 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1cdn h GLU 5 CO -0.02 0.70 0.44 -0.07 -1.00 0.00 0.00 179.01 179.06 1cdn h LEU 6 N 0.48 0.61 0.20 1.33 3.38 -0.46 0.21 115.31 121.07 1cdn h LEU 6 Ca 0.12 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1cdn h LEU 6 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1cdn h LEU 6 CO 0.01 0.35 -0.10 0.50 0.09 0.00 0.00 178.44 179.29 1cdn h LYS 7 N 0.73 -0.26 -0.49 1.13 1.63 -0.48 0.16 116.57 119.00 1cdn h LYS 7 Ca 0.38 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.30 1cdn h LYS 7 Cb 0.37 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.97 1cdn h LYS 7 CO -0.25 -0.11 -0.06 0.78 -3.45 0.00 0.00 179.45 176.35 1cdn h GLY 8 N -0.35 0.42 0.89 5.01 0.00 -0.14 0.92 103.07 109.83 1cdn h GLY 8 Ca -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1cdn h GLY 8 CO 0.05 -0.16 -0.28 -2.22 0.00 0.00 0.00 176.54 173.92 1cdn h ILE 9 N 0.05 0.43 -0.62 2.60 1.08 -0.57 0.10 117.51 120.58 1cdn h ILE 9 Ca 0.24 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.83 1cdn h ILE 9 Cb 0.37 0.43 -0.12 0.00 -3.07 0.00 0.00 36.82 34.42 1cdn h ILE 9 CO -0.46 0.00 -0.26 0.15 -0.69 0.00 0.00 178.15 176.89 1cdn h PHE 10 N -0.71 -0.67 0.14 1.37 3.04 0.10 -0.67 116.94 119.55 1cdn h PHE 10 Ca -0.05 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1cdn h PHE 10 Cb 0.57 0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1cdn h PHE 10 CO -0.09 -0.34 -0.07 0.93 -2.02 0.00 0.00 178.31 176.72 1cdn h GLU 11 N -0.09 -0.18 -0.72 1.11 5.08 -0.62 0.62 114.58 119.77 1cdn h GLU 11 Ca 0.27 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.78 1cdn h GLU 11 Cb 0.53 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.68 1cdn h GLU 11 CO -0.68 -0.04 -0.26 -0.22 -1.00 0.00 0.00 179.01 176.81 1cdn h LYS 12 N -0.29 -0.06 0.04 2.33 3.64 0.21 0.16 116.57 122.60 1cdn h LYS 12 Ca -0.02 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1cdn h LYS 12 Cb 0.23 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1cdn h LYS 12 CO 0.03 -0.04 -0.47 1.88 -2.27 0.00 0.00 179.45 178.58 1cdn h TYR 13 N -0.06 0.39 -0.89 1.91 0.05 -1.03 -3.32 116.97 114.02 1cdn h TYR 13 Ca 0.32 -0.24 0.08 0.00 0.05 0.00 0.00 58.73 58.93 1cdn h TYR 13 Cb 0.56 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.20 1cdn h TYR 13 CO -0.64 1.11 0.54 0.00 -1.05 0.00 0.00 178.16 178.12 1cdn h ALA 14 N 0.18 1.25 -1.14 3.88 0.00 -0.55 -1.94 119.26 120.94 1cdn h ALA 14 Ca -0.07 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.17 1cdn h ALA 14 Cb 1.28 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1cdn h ALA 14 CO 0.09 0.25 0.73 0.00 0.00 0.00 0.00 179.25 180.32 1cdn h ALA 15 N 1.44 2.43 -0.17 0.00 0.00 -0.78 0.14 119.26 122.32 1cdn h ALA 15 Ca 0.40 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1cdn h ALA 15 Cb 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1cdn h ALA 15 CO -0.20 -0.91 0.11 0.87 0.00 0.00 0.00 179.25 179.12 1cdn h LYS 16 N 0.27 0.16 0.00 0.00 1.57 -1.50 0.15 116.57 117.22 1cdn h LYS 16 Ca 0.67 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.42 1cdn h LYS 16 Cb 1.89 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 1cdn h LYS 16 CO -0.33 0.10 -0.12 1.49 -0.57 0.00 0.00 179.45 180.02 1cdn h GLU 17 N 0.16 0.00 0.00 3.15 4.57 -0.88 -3.47 114.58 118.10 1cdn h GLU 17 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1cdn h GLU 17 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1cdn h GLU 17 CO -0.01 0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 1cdn n GLY 18 N 0.18 3.04 3.61 1.92 0.00 0.52 -5.03 105.19 109.43 1cdn n GLY 18 Ca 0.01 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 6.71 0.57 1.61 2.15 -1.26 -4.77 116.67 121.68 1cdn s ASP 19 Ca 0.00 0.61 0.34 0.00 0.43 0.00 0.00 52.55 53.93 1cdn s ASP 19 Cb 0.00 -2.52 1.69 0.00 -0.30 0.00 0.00 42.92 41.78 1cdn s ASP 19 CO 0.00 -1.07 2.12 1.55 -0.17 0.00 0.00 175.17 177.60 1cdn h PRO 20 N 8.79 0.00 -0.00 4.34 0.13 -1.88 -3.22 132.00 140.16 1cdn h PRO 20 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1cdn h PRO 20 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1cdn h PRO 20 CO 1.07 0.05 -0.03 0.09 -0.23 0.00 0.00 178.00 178.95 1cdn n ASN 21 N -3.29 0.16 -3.67 1.44 3.02 -1.26 -4.46 115.26 107.20 1cdn n ASN 21 Ca -0.01 -0.47 -0.09 0.00 -0.03 0.00 0.00 54.58 53.97 1cdn n ASN 21 Cb 0.22 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.55 -0.24 3.52 0.74 -1.22 -3.70 119.66 116.91 1cdn s GLN 22 Ca 0.33 0.98 -0.09 0.00 0.05 0.00 0.00 55.36 56.63 1cdn s GLN 22 Cb 0.21 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 1cdn s GLN 22 CO 0.44 -0.15 0.12 -0.51 -0.55 0.00 0.00 175.29 174.64 1cdn s LEU 23 N 1.41 3.83 0.74 3.68 1.43 0.19 -4.72 118.68 125.24 1cdn s LEU 23 Ca -0.09 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1cdn s LEU 23 Cb -0.07 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.21 1cdn s LEU 23 CO -0.15 0.04 1.07 -0.44 0.23 0.00 0.00 176.35 177.10 1cdn s SER 24 N 1.22 4.62 0.18 2.29 0.01 -1.26 -0.41 113.70 120.34 1cdn s SER 24 Ca 0.06 0.48 -0.16 0.00 1.31 0.00 0.00 55.95 57.63 1cdn s SER 24 Cb -0.14 -1.04 0.12 0.00 0.21 0.00 0.00 66.02 65.17 1cdn s SER 24 CO 0.05 -1.75 1.66 0.11 0.41 0.00 0.00 173.24 173.72 1cdn h LYS 25 N -0.76 0.00 -0.39 12.44 1.57 -1.99 -1.66 116.57 125.78 1cdn h LYS 25 Ca -0.44 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1cdn h LYS 25 Cb 1.31 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1cdn h LYS 25 CO 0.59 0.00 0.16 1.49 -0.57 0.00 0.00 179.45 181.12 1cdn h GLU 26 N 0.00 0.59 -0.23 3.15 4.57 -1.98 0.27 114.58 120.95 1cdn h GLU 26 Ca 0.22 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1cdn h GLU 26 Cb 0.33 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 1cdn h GLU 26 CO -0.46 0.56 -0.13 0.93 -1.18 0.00 0.00 179.01 178.73 1cdn h GLU 27 N 0.49 -0.11 -0.87 1.92 3.07 -1.80 0.19 114.58 117.47 1cdn h GLU 27 Ca 0.13 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1cdn h GLU 27 Cb 0.19 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.05 1cdn h GLU 27 CO -0.01 -0.07 0.52 -0.07 -1.40 0.00 0.00 179.01 177.98 1cdn h LEU 28 N -0.11 0.78 0.18 1.33 3.38 -0.59 0.12 115.31 120.39 1cdn h LEU 28 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1cdn h LEU 28 Cb 0.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cdn h LEU 28 CO -0.30 0.46 -0.09 0.50 0.09 0.00 0.00 178.44 179.10 1cdn h LYS 29 N 0.89 -0.23 -0.48 1.13 3.64 0.71 0.26 116.57 122.49 1cdn h LYS 29 Ca 0.41 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1cdn h LYS 29 Cb 0.32 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1cdn h LYS 29 CO -0.23 -0.08 0.19 -0.07 -2.27 0.00 0.00 179.45 176.99 1cdn h LEU 30 N -0.33 0.66 -0.05 5.20 4.07 -0.81 0.11 115.31 124.16 1cdn h LEU 30 Ca -0.02 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 57.80 1cdn h LEU 30 Cb 0.26 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 1cdn h LEU 30 CO 0.04 0.64 -0.47 0.25 -1.08 0.00 0.00 178.44 177.83 1cdn h LEU 31 N 0.63 -1.44 0.34 1.67 6.46 -0.61 0.73 115.31 123.09 1cdn h LEU 31 Ca 0.16 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1cdn h LEU 31 Cb 0.19 0.56 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1cdn h LEU 31 CO -0.01 -0.47 -0.41 -0.07 -0.62 0.00 0.00 178.44 176.86 1cdn h LEU 32 N -0.58 -1.14 -0.60 2.25 3.38 -0.20 0.82 115.31 119.23 1cdn h LEU 32 Ca 0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1cdn h LEU 32 Cb 0.67 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1cdn h LEU 32 CO -0.36 -0.52 0.29 -0.61 0.09 0.00 0.00 178.44 177.33 1cdn h GLN 33 N -0.76 0.51 0.03 1.13 4.15 -0.66 0.17 115.11 119.69 1cdn h GLN 33 Ca -0.04 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1cdn h GLN 33 Cb 0.68 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.26 1cdn h GLN 33 CO -0.09 0.34 -0.26 1.15 -1.93 0.00 0.00 178.83 178.04 1cdn h THR 34 N 0.53 1.65 0.00 2.39 2.02 -0.77 -3.32 112.91 115.41 1cdn h THR 34 Ca 0.28 -2.24 -0.35 0.00 0.77 0.00 0.00 66.41 64.88 1cdn h THR 34 Cb 0.25 3.13 -0.06 0.00 -1.74 0.00 0.00 68.15 69.73 1cdn h THR 34 CO -0.22 0.60 -2.16 -0.62 0.37 0.00 0.00 175.52 173.49 1cdn n GLU 35 N -4.47 0.67 -3.18 6.66 -0.58 0.27 -4.65 120.64 115.36 1cdn n GLU 35 Ca -0.11 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 1cdn n GLU 35 Cb 0.56 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.91 0.28 0.01 -0.32 3.72 0.56 -4.98 117.46 113.82 1cdn n PHE 36 Ca -0.28 -3.82 0.19 0.00 -0.05 0.00 0.00 57.45 53.49 1cdn n PHE 36 Cb 1.11 -0.42 0.68 0.00 -0.94 0.00 0.00 39.48 39.91 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 3.03 0.01 -0.65 -1.08 0.13 -1.52 -0.25 132.00 131.67 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 0.95 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.01 1cdn h PRO 37 CO 0.51 0.01 0.28 0.77 -0.23 0.00 0.00 178.00 179.34 1cdn h SER 38 N 0.01 0.32 0.56 1.44 0.02 -1.91 -1.25 113.55 112.74 1cdn h SER 38 Ca 0.24 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1cdn h SER 38 Cb 0.94 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1cdn h SER 38 CO -0.01 0.18 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.76 1cdn h LEU 39 N 0.48 0.00 -1.37 5.07 3.38 -1.36 -1.21 115.31 120.30 1cdn h LEU 39 Ca 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 1cdn h LEU 39 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1cdn h LEU 39 CO -0.30 0.04 -0.31 0.25 0.09 0.00 0.00 178.44 178.21 1cdn h LEU 40 N 0.00 0.00-10.14 1.67 5.85 -1.30 -3.14 115.31 108.24 1cdn h LEU 40 Ca -0.00 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.22 1cdn h LEU 40 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1cdn h LEU 40 CO 0.00 0.31 0.07 -0.54 -0.34 0.00 0.00 178.44 177.95 1cdn s LYS 41 N -4.31 3.75 0.00 1.25 3.01 -0.46 -4.38 119.74 118.61 1cdn s LYS 41 Ca -0.03 0.39 0.00 0.00 -1.01 0.00 0.00 55.97 55.32 1cdn s LYS 41 Cb 0.15 -2.43 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 1cdn s LYS 41 CO 0.71 0.01 0.00 0.41 0.51 0.00 0.00 175.35 176.99 1cdn n GLY 42 N -1.24 0.98 3.15 -3.33 0.00 -1.26 -4.83 105.19 98.66 1cdn n GLY 42 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 2.13 4.44 -0.02 0.00 -1.19 -4.88 105.19 105.67 1cdn n GLY 43 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 7.51 0.00 -4.15 1.61 3.41 -1.26 -4.33 113.62 116.41 1cdn n SER 44 Ca 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1cdn n SER 44 Cb 0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.04 0.18 6.66 -4.23 -1.26 -5.00 115.64 112.03 1cdn s THR 45 Ca 0.00 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 1cdn s THR 45 Cb 0.00 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.65 1cdn s THR 45 CO 0.00 -0.20 1.75 0.25 -0.54 0.00 0.00 174.62 175.88 1cdn h LEU 46 N 2.69 0.17 0.44 4.79 5.85 -1.96 0.25 115.31 127.55 1cdn h LEU 46 Ca -0.35 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1cdn h LEU 46 Cb 1.23 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1cdn h LEU 46 CO 0.54 0.13 -0.21 0.44 -0.34 0.00 0.00 178.44 179.00 1cdn h ASP 47 N 0.34 -0.50 -0.67 1.25 5.19 -1.97 0.20 116.42 120.26 1cdn h ASP 47 Ca 0.22 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1cdn h ASP 47 Cb 0.21 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 1cdn h ASP 47 CO -0.22 -0.31 0.41 -0.33 -3.12 0.00 0.00 179.24 175.67 1cdn h GLU 48 N -0.64 0.77 -0.24 3.56 4.39 -1.89 -0.57 114.58 119.96 1cdn h GLU 48 Ca -0.06 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1cdn h GLU 48 Cb 0.48 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1cdn h GLU 48 CO 0.10 0.51 0.14 1.25 -1.16 0.00 0.00 179.01 179.85 1cdn h LEU 49 N 0.79 0.29 -0.43 1.33 5.85 -0.29 0.17 115.31 123.03 1cdn h LEU 49 Ca 0.28 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1cdn h LEU 49 Cb 0.05 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1cdn h LEU 49 CO -0.12 0.27 -0.07 0.15 -0.34 0.00 0.00 178.44 178.33 1cdn h PHE 50 N 0.28 -0.16 -0.50 1.25 3.57 -0.09 0.20 116.94 121.50 1cdn h PHE 50 Ca 0.08 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1cdn h PHE 50 Cb 0.04 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1cdn h PHE 50 CO -0.04 -0.15 0.24 0.93 -2.23 0.00 0.00 178.31 177.05 1cdn h GLU 51 N 0.03 0.73 -0.94 1.11 5.08 -0.67 0.46 114.58 120.38 1cdn h GLU 51 Ca 0.21 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1cdn h GLU 51 Cb 0.31 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1cdn h GLU 51 CO -0.41 0.61 0.60 0.93 -1.00 0.00 0.00 179.01 179.74 1cdn h GLU 52 N 0.67 1.07 0.19 2.33 5.08 0.26 -2.24 114.58 121.94 1cdn h GLU 52 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1cdn h GLU 52 Cb 0.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1cdn h GLU 52 CO -0.02 0.71 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.54 1cdn h LEU 53 N 1.10 -0.21 -7.04 1.33 3.38 -0.20 -3.33 115.31 110.34 1cdn h LEU 53 Ca 0.41 0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.65 1cdn h LEU 53 Cb 0.15 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 1cdn h LEU 53 CO -0.17 -0.11 1.89 -0.67 0.09 0.00 0.00 178.44 179.47 1cdn n ASP 54 N -2.91 5.01 0.05 -0.43 -0.08 0.11 -4.68 116.55 113.63 1cdn n ASP 54 Ca -0.03 -3.01 -0.08 0.00 -1.51 0.00 0.00 54.79 50.15 1cdn n ASP 54 Cb 0.10 -1.56 -0.12 0.00 2.34 0.00 0.00 41.12 41.88 1cdn n ASP 54 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1cdn h LYS 55 N 6.49 0.02 0.00 -0.67 1.63 -1.52 -3.40 116.57 119.12 1cdn h LYS 55 Ca 0.39 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.97 1cdn h LYS 55 Cb 0.75 0.01 -0.38 0.00 -0.60 0.00 0.00 32.23 32.01 1cdn h LYS 55 CO 1.49 0.94 -1.03 0.27 -3.45 0.00 0.00 179.45 177.67 1cdn n ASN 56 N -3.32 0.98 0.00 4.20 6.94 -1.26 -4.99 115.26 117.82 1cdn n ASN 56 Ca -0.03 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1cdn n ASN 56 Cb 0.96 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdn n GLY 57 N 0.49 0.39 1.10 4.83 0.00 -1.26 -5.09 105.19 105.64 1cdn n GLY 57 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.02 0.00 1.61 5.75 -1.26 -5.09 116.55 117.58 1cdn n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 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 1.52 0.09 3.72 6.12 0.00 -1.26 -5.12 105.19 110.26 1cdn n GLY 59 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.60 -0.46 1.61 8.01 -1.26 -4.63 118.70 126.57 1cdn s GLU 60 Ca 0.00 1.50 -0.29 0.00 0.01 0.00 0.00 54.97 56.20 1cdn s GLU 60 Cb 0.00 -3.40 0.03 0.00 -4.31 0.00 0.00 34.13 26.45 1cdn s GLU 60 CO 0.00 0.03 1.18 0.08 0.01 0.00 0.00 175.26 176.56 1cdn s VAL 61 N 0.52 4.18 0.88 2.63 1.01 0.45 -4.72 120.40 125.34 1cdn s VAL 61 Ca 0.51 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 1cdn s VAL 61 Cb -0.24 -4.53 0.13 0.00 0.00 0.00 0.00 36.38 31.74 1cdn s VAL 61 CO 0.30 -0.94 1.22 -0.55 0.00 0.00 0.00 175.10 175.13 1cdn s SER 62 N 2.64 3.87 0.29 3.32 0.15 -1.26 -0.64 113.70 122.06 1cdn s SER 62 Ca 0.50 0.62 -0.01 0.00 0.70 0.00 0.00 55.95 57.76 1cdn s SER 62 Cb -0.08 -0.95 0.43 0.00 -1.71 0.00 0.00 66.02 63.70 1cdn s SER 62 CO 0.31 -2.29 1.84 0.15 1.20 0.00 0.00 173.24 174.45 1cdn h PHE 63 N -1.33 0.84 0.53 3.44 3.57 -1.95 0.14 116.94 122.18 1cdn h PHE 63 Ca -0.46 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 1cdn h PHE 63 Cb 1.30 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.79 1cdn h PHE 63 CO -0.25 0.69 -0.26 0.93 -2.23 0.00 0.00 178.31 177.20 1cdn h GLU 64 N 0.79 -0.69 -0.53 1.11 3.07 -1.94 -2.89 114.58 113.50 1cdn h GLU 64 Ca 0.18 0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1cdn h GLU 64 Cb 0.26 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 1cdn h GLU 64 CO -0.01 -0.40 0.35 1.05 -1.40 0.00 0.00 179.01 178.61 1cdn h GLU 65 N -1.09 0.66 -0.74 2.33 4.11 -1.87 0.54 114.58 118.51 1cdn h GLU 65 Ca -0.07 -0.04 0.21 0.00 0.07 0.00 0.00 59.36 59.53 1cdn h GLU 65 Cb 0.61 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1cdn h GLU 65 CO 0.12 0.43 0.59 0.35 0.07 0.00 0.00 179.01 180.58 1cdn h PHE 66 N 0.68 0.00 -0.21 2.06 3.57 -0.67 0.01 116.94 122.38 1cdn h PHE 66 Ca 0.20 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1cdn h PHE 66 Cb -0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1cdn h PHE 66 CO -0.00 0.00 0.33 1.96 -2.23 0.00 0.00 178.31 178.37 1cdn h GLN 67 N 0.00 0.00 -0.35 1.11 1.08 -0.66 0.25 115.11 116.54 1cdn h GLN 67 Ca 0.35 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.65 1cdn h GLN 67 Cb 1.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 1cdn h GLN 67 CO -0.00 0.00 0.29 0.28 -0.95 0.00 0.00 178.83 178.45 1cdn h VAL 68 N 0.00 0.62 -0.25 -0.54 2.07 -1.16 0.17 116.25 117.15 1cdn h VAL 68 Ca 0.10 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.45 1cdn h VAL 68 Cb 0.75 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1cdn h VAL 68 CO -0.00 0.00 -0.51 0.25 0.02 0.00 0.00 177.57 177.33 1cdn h LEU 69 N 0.00 0.89 -1.10 2.57 6.46 -0.70 -0.46 115.31 122.97 1cdn h LEU 69 Ca 0.16 -0.54 -0.08 0.00 -0.12 0.00 0.00 57.88 57.30 1cdn h LEU 69 Cb 0.75 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1cdn h LEU 69 CO -0.00 1.26 -0.20 0.58 -0.62 0.00 0.00 178.44 179.46 1cdn h VAL 70 N 0.54 1.24 0.28 1.05 2.07 -0.97 0.11 116.25 120.58 1cdn h VAL 70 Ca 0.01 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1cdn h VAL 70 Cb 1.12 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1cdn h VAL 70 CO 0.11 0.35 -0.23 0.50 0.02 0.00 0.00 177.57 178.32 1cdn h LYS 71 N 0.36 -0.51 -0.71 1.57 3.64 -0.53 0.39 116.57 120.79 1cdn h LYS 71 Ca 0.06 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1cdn h LYS 71 Cb 0.56 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.40 1cdn h LYS 71 CO 0.04 -0.34 0.22 0.87 -2.27 0.00 0.00 179.45 177.97 1cdn h LYS 72 N -0.53 0.33 -0.21 1.90 6.56 -0.35 -1.51 116.57 122.77 1cdn h LYS 72 Ca -0.01 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1cdn h LYS 72 Cb 0.47 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.03 1cdn h LYS 72 CO -0.03 0.22 0.03 0.82 -2.06 0.00 0.00 179.45 178.44 1cdn h ILE 73 N 0.34 0.89 0.00 1.86 2.04 -0.49 -3.45 117.51 118.71 1cdn h ILE 73 Ca 0.39 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1cdn h ILE 73 Cb 0.60 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1cdn h ILE 73 CO -0.43 0.02 0.00 -0.24 0.00 0.00 0.00 178.15 177.50 1cdn n SER 74 N -5.10 -1.90 0.00 1.72 2.88 0.02 -5.09 113.62 106.15 1cdn n SER 74 Ca -0.02 0.41 0.06 0.00 -1.33 0.00 0.00 58.87 57.98 1cdn n SER 74 Cb 0.10 2.04 0.33 0.00 -0.75 0.00 0.00 64.21 65.92 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81