#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 6.25 0.27 4.39 1.04 -1.26 -4.75 113.70 119.64 1cdn s SER 2 Ca 0.00 1.18 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1cdn s SER 2 Cb 0.00 -2.36 0.52 0.00 0.10 0.00 0.00 66.02 64.28 1cdn s SER 2 CO 0.00 -0.73 1.60 -0.65 0.98 0.00 0.00 173.24 174.45 1cdn h PRO 3 N -0.04 0.05 -0.84 4.02 0.11 -2.00 0.14 132.00 133.44 1cdn h PRO 3 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1cdn h PRO 3 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1cdn h PRO 3 CO 0.62 0.03 0.51 0.93 -0.21 0.00 0.00 178.00 179.88 1cdn h GLU 4 N 0.05 1.13 -0.32 1.05 5.08 -1.99 0.21 114.58 119.80 1cdn h GLU 4 Ca 0.47 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.61 1cdn h GLU 4 Cb 0.85 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1cdn h GLU 4 CO -0.81 0.79 -0.27 0.93 -1.00 0.00 0.00 179.01 178.65 1cdn h GLU 5 N 1.15 0.75 -0.90 2.33 3.07 -1.20 -0.21 114.58 119.56 1cdn h GLU 5 Ca 0.30 -0.38 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1cdn h GLU 5 Cb -0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.80 1cdn h GLU 5 CO -0.06 1.00 0.59 -0.07 -1.40 0.00 0.00 179.01 179.07 1cdn h LEU 6 N 0.51 0.95 -0.11 1.33 3.38 -0.54 0.12 115.31 120.95 1cdn h LEU 6 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1cdn h LEU 6 Cb 0.84 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1cdn h LEU 6 CO 0.07 0.63 0.05 0.50 0.09 0.00 0.00 178.44 179.78 1cdn h LYS 7 N 1.09 0.16 -0.15 1.13 3.11 -0.08 0.29 116.57 122.13 1cdn h LYS 7 Ca 0.37 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 58.23 1cdn h LYS 7 Cb 0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.25 1cdn h LYS 7 CO -0.12 0.25 -0.13 0.78 -2.81 0.00 0.00 179.45 177.42 1cdn h GLY 8 N 0.03 -0.03 0.63 5.01 0.00 -0.32 0.11 103.07 108.50 1cdn h GLY 8 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.57 1cdn h GLY 8 CO -0.00 -0.14 -0.06 -2.22 0.00 0.00 0.00 176.54 174.12 1cdn h ILE 9 N -0.15 0.79 -0.42 2.60 1.08 -0.74 0.52 117.51 121.19 1cdn h ILE 9 Ca 0.10 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 1cdn h ILE 9 Cb 0.30 0.79 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 1cdn h ILE 9 CO -0.24 0.00 -0.10 0.15 -0.69 0.00 0.00 178.15 177.27 1cdn h PHE 10 N -0.03 -0.21 0.08 1.37 3.04 0.29 -1.95 116.94 119.53 1cdn h PHE 10 Ca 0.09 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1cdn h PHE 10 Cb 0.15 0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1cdn h PHE 10 CO -0.21 -0.18 -0.04 0.93 -2.02 0.00 0.00 178.31 176.80 1cdn h GLU 11 N 0.00 -0.10 -0.99 1.11 5.08 -0.24 0.22 114.58 119.66 1cdn h GLU 11 Ca 0.20 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.72 1cdn h GLU 11 Cb 0.31 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.42 1cdn h GLU 11 CO -0.43 -0.04 -0.38 1.17 -1.00 0.00 0.00 179.01 178.33 1cdn n LYS 12 N -5.12 -0.23 -0.01 2.33 3.00 0.12 -0.46 118.16 117.79 1cdn n LYS 12 Ca -0.08 1.52 -0.18 0.00 -0.00 0.00 0.00 58.31 59.57 1cdn n LYS 12 Cb 0.08 -2.26 -0.14 0.00 0.00 0.00 0.00 35.03 32.71 1cdn n LYS 12 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1cdn h TYR 13 N 0.00 0.29 -0.93 5.64 0.05 -1.16 -3.35 116.97 117.50 1cdn h TYR 13 Ca 0.35 -0.21 0.14 0.00 0.05 0.00 0.00 58.73 59.06 1cdn h TYR 13 Cb 0.60 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.25 1cdn h TYR 13 CO -0.86 1.26 0.59 0.00 -1.05 0.00 0.00 178.16 178.10 1cdn h ALA 14 N -0.02 1.72 -1.02 3.88 0.00 -0.26 0.14 119.26 123.69 1cdn h ALA 14 Ca -0.14 0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.05 1cdn h ALA 14 Cb 1.40 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1cdn h ALA 14 CO 0.05 0.04 0.67 0.00 0.00 0.00 0.00 179.25 180.01 1cdn h ALA 15 N 1.58 2.37 -0.08 0.00 0.00 -0.90 0.15 119.26 122.37 1cdn h ALA 15 Ca 0.47 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1cdn h ALA 15 Cb 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1cdn h ALA 15 CO -0.23 -0.73 -0.55 0.87 0.00 0.00 0.00 179.25 178.61 1cdn h LYS 16 N 0.33 0.22 -0.14 0.00 1.57 -0.89 -2.41 116.57 115.24 1cdn h LYS 16 Ca 0.55 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1cdn h LYS 16 Cb 1.53 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1cdn h LYS 16 CO -0.22 0.71 0.05 1.49 -0.57 0.00 0.00 179.45 180.91 1cdn h GLU 17 N 0.17 0.22 0.00 3.15 4.81 -0.81 -3.48 114.58 118.64 1cdn h GLU 17 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1cdn h GLU 17 Cb 1.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1cdn h GLU 17 CO 0.08 0.34 0.00 0.41 -0.73 0.00 0.00 179.01 179.12 1cdn n GLY 18 N -0.61 3.10 3.61 1.92 0.00 -0.26 -5.07 105.19 107.87 1cdn n GLY 18 Ca -0.05 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 6.27 0.62 1.61 2.15 -1.25 -4.62 116.67 121.45 1cdn s ASP 19 Ca 0.00 1.08 0.39 0.00 0.43 0.00 0.00 52.55 54.45 1cdn s ASP 19 Cb 0.00 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.23 1cdn s ASP 19 CO 0.00 -1.44 2.21 1.55 -0.17 0.00 0.00 175.17 177.32 1cdn h PRO 20 N 11.07 0.00 -0.01 4.34 0.13 -1.90 -1.55 132.00 144.07 1cdn h PRO 20 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1cdn h PRO 20 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1cdn h PRO 20 CO 1.06 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.74 1cdn n ASN 21 N -2.94 0.74 -3.80 1.44 3.02 -1.26 -4.33 115.26 108.13 1cdn n ASN 21 Ca -0.03 -0.72 -0.14 0.00 -0.03 0.00 0.00 54.58 53.67 1cdn n ASN 21 Cb 0.12 0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.49 0.01 -0.11 3.52 0.74 -0.58 -1.37 119.66 119.37 1cdn s GLN 22 Ca 0.26 0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.81 1cdn s GLN 22 Cb 0.20 -0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.14 1cdn s GLN 22 CO 0.50 -0.10 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.59 1cdn s LEU 23 N 0.65 3.33 0.88 3.68 1.43 0.24 -4.56 118.68 124.34 1cdn s LEU 23 Ca -0.05 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1cdn s LEU 23 Cb -0.08 -1.76 0.15 0.00 0.03 0.00 0.00 46.19 44.53 1cdn s LEU 23 CO -0.02 0.30 1.24 -0.94 0.23 0.00 0.00 176.35 177.15 1cdn s SER 24 N -0.41 3.76 0.17 2.29 1.04 -1.26 -0.82 113.70 118.47 1cdn s SER 24 Ca 0.07 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.76 1cdn s SER 24 Cb -0.12 -0.66 0.10 0.00 0.10 0.00 0.00 66.02 65.44 1cdn s SER 24 CO 0.02 -2.33 1.77 0.11 0.98 0.00 0.00 173.24 173.79 1cdn h LYS 25 N -1.31 0.39 -0.27 4.02 1.57 -1.99 0.15 116.57 119.13 1cdn h LYS 25 Ca -0.44 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1cdn h LYS 25 Cb 1.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1cdn h LYS 25 CO 0.49 0.26 0.07 1.49 -0.57 0.00 0.00 179.45 181.18 1cdn h GLU 26 N 0.40 0.44 -0.56 3.15 4.81 -1.98 0.25 114.58 121.09 1cdn h GLU 26 Ca 0.19 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1cdn h GLU 26 Cb 0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1cdn h GLU 26 CO -0.16 0.52 0.35 0.93 -0.73 0.00 0.00 179.01 179.93 1cdn h GLU 27 N 0.28 0.69 -0.71 1.92 3.07 -1.87 0.61 114.58 118.57 1cdn h GLU 27 Ca 0.09 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1cdn h GLU 27 Cb 0.28 -0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 1cdn h GLU 27 CO 0.00 0.46 0.40 -0.07 -1.40 0.00 0.00 179.01 178.40 1cdn h LEU 28 N 0.71 0.60 0.23 1.33 3.38 -0.59 0.90 115.31 121.88 1cdn h LEU 28 Ca 0.22 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1cdn h LEU 28 Cb -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1cdn h LEU 28 CO -0.07 0.39 -0.11 0.50 0.09 0.00 0.00 178.44 179.23 1cdn h LYS 29 N 0.74 -0.30 -0.29 1.13 3.64 0.69 0.23 116.57 122.42 1cdn h LYS 29 Ca 0.32 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1cdn h LYS 29 Cb 0.19 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1cdn h LYS 29 CO -0.18 -0.20 0.13 -0.07 -2.27 0.00 0.00 179.45 176.85 1cdn h LEU 30 N -0.31 0.17 -0.01 5.20 4.07 -0.75 0.18 115.31 123.85 1cdn h LEU 30 Ca -0.03 0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1cdn h LEU 30 Cb 0.24 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1cdn h LEU 30 CO 0.05 0.14 -0.47 0.25 -1.08 0.00 0.00 178.44 177.33 1cdn h LEU 31 N 0.27 -1.44 0.33 1.67 6.46 -0.57 0.83 115.31 122.87 1cdn h LEU 31 Ca 0.12 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1cdn h LEU 31 Cb 0.06 0.56 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1cdn h LEU 31 CO -0.10 -0.49 -0.41 -0.07 -0.62 0.00 0.00 178.44 176.75 1cdn h LEU 32 N -0.61 -1.14 -0.42 2.25 3.38 -0.19 0.24 115.31 118.81 1cdn h LEU 32 Ca 0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1cdn h LEU 32 Cb 0.69 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1cdn h LEU 32 CO -0.34 -0.54 0.23 -0.61 0.09 0.00 0.00 178.44 177.27 1cdn h GLN 33 N -0.79 0.58 0.00 1.13 4.15 -0.49 0.20 115.11 119.90 1cdn h GLN 33 Ca -0.02 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1cdn h GLN 33 Cb 0.73 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1cdn h GLN 33 CO -0.11 0.47 -0.14 1.15 -1.93 0.00 0.00 178.83 178.27 1cdn h THR 34 N 0.54 1.61 0.02 2.39 2.02 -0.78 -3.31 112.91 115.41 1cdn h THR 34 Ca 0.15 -1.97 -0.33 0.00 0.77 0.00 0.00 66.41 65.02 1cdn h THR 34 Cb 0.05 2.91 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 1cdn h THR 34 CO -0.02 0.53 -1.98 -0.62 0.37 0.00 0.00 175.52 173.79 1cdn n GLU 35 N -4.59 0.67 -3.01 6.66 -0.58 0.07 -4.56 120.64 115.30 1cdn n GLU 35 Ca -0.10 0.21 -0.23 0.00 -0.42 0.00 0.00 57.16 56.63 1cdn n GLU 35 Cb 0.46 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.07 2.31 0.11 -0.32 3.01 0.70 -4.92 117.46 115.28 1cdn n PHE 36 Ca -0.25 -3.83 0.14 0.00 1.01 0.00 0.00 57.45 54.51 1cdn n PHE 36 Cb 1.07 -0.44 0.65 0.00 -0.01 0.00 0.00 39.48 40.75 1cdn n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1cdn h PRO 37 N 2.97 0.04 -0.17 -1.08 0.13 -1.61 -1.26 132.00 131.02 1cdn h PRO 37 Ca 0.12 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1cdn h PRO 37 Cb 0.74 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1cdn h PRO 37 CO 0.68 0.03 0.15 0.77 -0.23 0.00 0.00 178.00 179.39 1cdn h SER 38 N 0.04 0.00 0.98 1.44 0.02 -1.91 0.29 113.55 114.42 1cdn h SER 38 Ca 0.14 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1cdn h SER 38 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1cdn h SER 38 CO -0.01 0.00 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.10 1cdn h LEU 39 N 0.00 0.00 -7.63 5.07 3.38 -1.57 -3.39 115.31 111.17 1cdn h LEU 39 Ca 0.08 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.40 1cdn h LEU 39 Cb 0.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1cdn h LEU 39 CO -0.00 0.51 2.22 0.18 0.09 0.00 0.00 178.44 181.44 1cdn n LEU 40 N -3.48 4.99 -0.02 1.67 4.32 0.09 -4.35 117.00 120.22 1cdn n LEU 40 Ca 0.00 -3.87 -0.02 0.00 -0.02 0.00 0.00 56.01 52.10 1cdn n LEU 40 Cb 0.62 -1.73 -0.01 0.00 -1.62 0.00 0.00 43.42 40.69 1cdn n LEU 40 CO 0.39 0.08 -0.18 0.29 -1.22 0.00 0.00 177.39 176.76 1cdn n LYS 41 N 8.10 0.14 0.00 3.23 5.02 -1.26 -5.08 118.16 128.31 1cdn n LYS 41 Ca 0.49 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1cdn n LYS 41 Cb 0.45 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1cdn n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cdn n GLY 42 N 2.25 2.85 0.00 0.72 0.00 -1.26 -5.19 105.19 104.56 1cdn n GLY 42 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.14 0.71 3.61 -0.02 0.00 -1.26 -5.10 105.19 101.99 1cdn n GLY 43 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1cdn n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cdn n SER 44 N 0.00 1.25 -4.69 1.61 7.64 -1.26 -4.95 113.62 113.22 1cdn n SER 44 Ca 0.00 1.01 -0.32 0.00 1.01 0.00 0.00 58.87 60.57 1cdn n SER 44 Cb 0.00 -1.36 0.14 0.00 -1.01 0.00 0.00 64.21 61.98 1cdn n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cdn s THR 45 N -1.30 2.09 0.29 0.44 -4.23 -1.26 -4.71 115.64 106.96 1cdn s THR 45 Ca 0.64 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 1cdn s THR 45 Cb -0.54 -2.30 0.29 0.00 1.34 0.00 0.00 72.50 71.30 1cdn s THR 45 CO 0.56 -0.03 1.68 0.25 -0.54 0.00 0.00 174.62 176.54 1cdn h LEU 46 N -1.26 0.24 0.48 4.79 5.85 -1.98 0.11 115.31 123.54 1cdn h LEU 46 Ca -0.45 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1cdn h LEU 46 Cb 1.28 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1cdn h LEU 46 CO 0.45 -0.05 -0.33 0.44 -0.34 0.00 0.00 178.44 178.60 1cdn h ASP 47 N 0.34 -0.86 -0.59 1.25 5.19 -1.98 0.27 116.42 120.04 1cdn h ASP 47 Ca 0.56 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 57.11 1cdn h ASP 47 Cb 1.09 0.26 -0.07 0.00 0.18 0.00 0.00 39.33 40.80 1cdn h ASP 47 CO -0.56 -0.51 0.23 -0.33 -3.12 0.00 0.00 179.24 174.95 1cdn h GLU 48 N -0.79 0.42 0.04 3.56 5.08 -1.68 0.40 114.58 121.60 1cdn h GLU 48 Ca -0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1cdn h GLU 48 Cb 0.66 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1cdn h GLU 48 CO 0.03 0.28 -0.10 1.25 -1.00 0.00 0.00 179.01 179.47 1cdn h LEU 49 N 0.43 -0.28 -0.31 1.33 7.12 -0.53 0.22 115.31 123.30 1cdn h LEU 49 Ca 0.29 0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.40 1cdn h LEU 49 Cb 0.32 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 1cdn h LEU 49 CO -0.27 -0.15 -0.10 0.15 -0.13 0.00 0.00 178.44 177.94 1cdn h PHE 50 N -0.19 -0.23 -0.30 1.25 3.57 0.14 0.12 116.94 121.30 1cdn h PHE 50 Ca 0.03 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1cdn h PHE 50 Cb 0.22 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1cdn h PHE 50 CO -0.15 -0.16 0.02 0.93 -2.23 0.00 0.00 178.31 176.72 1cdn h GLU 51 N -0.04 0.11 -0.57 1.11 5.08 -0.61 0.15 114.58 119.82 1cdn h GLU 51 Ca 0.15 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1cdn h GLU 51 Cb 0.27 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1cdn h GLU 51 CO -0.34 0.08 0.27 1.49 -1.00 0.00 0.00 179.01 179.51 1cdn h GLU 52 N 0.12 0.49 -0.30 2.33 4.57 0.05 -2.73 114.58 119.10 1cdn h GLU 52 Ca 0.14 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1cdn h GLU 52 Cb 0.18 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1cdn h GLU 52 CO -0.22 0.32 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.85 1cdn h LEU 53 N 0.50 0.52 -5.23 1.64 3.38 -0.21 -3.35 115.31 112.56 1cdn h LEU 53 Ca 0.27 -0.31 -0.46 0.00 0.09 0.00 0.00 57.88 57.46 1cdn h LEU 53 Cb 0.23 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1cdn h LEU 53 CO -0.21 0.71 2.86 -0.67 0.09 0.00 0.00 178.44 181.22 1cdn n ASP 54 N -4.56 6.11 -0.34 -0.43 2.03 0.47 -4.43 116.55 115.40 1cdn n ASP 54 Ca -0.03 -2.39 0.07 0.00 0.52 0.00 0.00 54.79 52.96 1cdn n ASP 54 Cb 0.26 -1.24 0.26 0.00 -0.72 0.00 0.00 41.12 39.68 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 5.75 0.94 0.00 -0.67 1.79 -1.73 0.24 116.57 122.89 1cdn h LYS 55 Ca 0.60 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1cdn h LYS 55 Cb 0.25 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1cdn h LYS 55 CO 1.49 0.62 0.00 0.27 -1.08 0.00 0.00 179.45 180.75 1cdn n ASN 56 N -4.58 0.13 -2.49 0.86 0.23 -1.26 -4.92 115.26 103.23 1cdn n ASN 56 Ca 0.18 0.52 -0.20 0.00 -0.53 0.00 0.00 54.58 54.55 1cdn n ASN 56 Cb 0.33 -0.56 0.01 0.00 -2.08 0.00 0.00 39.78 37.49 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cdn n GLY 57 N 0.54 -0.43 0.07 4.83 0.00 0.07 -4.89 105.19 105.38 1cdn n GLY 57 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.94 0.48 0.00 1.61 5.68 -1.26 -4.90 116.55 116.22 1cdn n ASP 58 Ca -0.17 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1cdn n ASP 58 Cb 0.65 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1cdn n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cdn n GLY 59 N 1.07 0.33 3.38 6.12 0.00 -1.26 -5.04 105.19 109.80 1cdn n GLY 59 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.82 1.54 -0.32 1.61 2.02 -1.26 -4.91 118.70 116.56 1cdn s GLU 60 Ca 0.00 -1.62 -0.07 0.00 0.02 0.00 0.00 54.97 53.31 1cdn s GLU 60 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 34.13 34.63 1cdn s GLU 60 CO 0.00 -0.59 0.10 0.08 0.02 0.00 0.00 175.26 174.87 1cdn s VAL 61 N -3.75 3.90 0.61 2.63 1.01 0.00 -4.77 120.40 120.02 1cdn s VAL 61 Ca 0.33 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1cdn s VAL 61 Cb 0.03 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1cdn s VAL 61 CO 0.15 -0.06 1.03 -0.94 0.00 0.00 0.00 175.10 175.28 1cdn s SER 62 N 1.46 6.14 0.43 3.32 1.04 -1.26 -0.59 113.70 124.22 1cdn s SER 62 Ca 0.01 1.52 0.15 0.00 0.48 0.00 0.00 55.95 58.11 1cdn s SER 62 Cb -0.18 -2.49 1.03 0.00 0.10 0.00 0.00 66.02 64.48 1cdn s SER 62 CO 0.03 -0.93 1.94 0.15 0.98 0.00 0.00 173.24 175.41 1cdn h PHE 63 N -0.03 0.48 0.73 5.02 3.57 -1.60 0.79 116.94 125.90 1cdn h PHE 63 Ca -0.45 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1cdn h PHE 63 Cb 1.19 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.79 1cdn h PHE 63 CO 0.64 0.20 -0.35 0.93 -2.23 0.00 0.00 178.31 177.50 1cdn h GLU 64 N 0.43 -0.94 0.00 1.11 4.39 -1.93 -3.07 114.58 114.56 1cdn h GLU 64 Ca 0.33 0.06 -0.05 0.00 0.34 0.00 0.00 59.36 60.04 1cdn h GLU 64 Cb 0.71 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1cdn h GLU 64 CO -0.10 -0.63 -0.26 1.05 -1.16 0.00 0.00 179.01 177.91 1cdn h GLU 65 N -1.23 0.00 -0.45 2.33 4.11 -1.78 -0.12 114.58 117.43 1cdn h GLU 65 Ca -0.10 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.46 1cdn h GLU 65 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1cdn h GLU 65 CO 0.16 0.26 0.51 0.35 0.07 0.00 0.00 179.01 180.36 1cdn h PHE 66 N 0.00 0.00 -0.33 2.06 3.57 -0.84 0.38 116.94 121.78 1cdn h PHE 66 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1cdn h PHE 66 Cb 0.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1cdn h PHE 66 CO 0.00 0.00 0.37 1.96 -2.23 0.00 0.00 178.31 178.41 1cdn h GLN 67 N 0.00 0.00 -0.61 1.11 1.08 -0.92 0.32 115.11 116.09 1cdn h GLN 67 Ca 0.22 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.51 1cdn h GLN 67 Cb 1.23 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 1cdn h GLN 67 CO -0.00 0.00 0.41 0.28 -0.95 0.00 0.00 178.83 178.57 1cdn h VAL 68 N 0.00 0.90 -0.01 -0.54 2.07 -1.11 0.95 116.25 118.51 1cdn h VAL 68 Ca 0.16 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1cdn h VAL 68 Cb 0.89 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1cdn h VAL 68 CO -0.00 0.08 -0.22 0.25 0.02 0.00 0.00 177.57 177.69 1cdn h LEU 69 N 0.44 0.22 -1.24 2.57 5.85 -0.57 -3.21 115.31 119.37 1cdn h LEU 69 Ca 0.28 -0.74 0.18 0.00 0.84 0.00 0.00 57.88 58.44 1cdn h LEU 69 Cb 0.52 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 1cdn h LEU 69 CO -0.08 0.93 0.60 0.58 -0.34 0.00 0.00 178.44 180.13 1cdn h VAL 70 N -0.47 0.74 0.16 1.05 2.07 -0.94 0.11 116.25 118.97 1cdn h VAL 70 Ca -0.02 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1cdn h VAL 70 Cb 0.95 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1cdn h VAL 70 CO 0.04 0.12 -0.43 0.50 0.02 0.00 0.00 177.57 177.83 1cdn h LYS 71 N 0.65 -0.66 -0.63 1.57 3.64 -0.89 0.21 116.57 120.45 1cdn h LYS 71 Ca 0.51 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 60.01 1cdn h LYS 71 Cb 0.93 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1cdn h LYS 71 CO -0.27 -0.44 0.31 0.87 -2.27 0.00 0.00 179.45 177.65 1cdn h LYS 72 N -0.69 0.53 -0.35 1.90 6.56 -0.90 -1.87 116.57 121.75 1cdn h LYS 72 Ca 0.01 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1cdn h LYS 72 Cb 0.70 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.20 1cdn h LYS 72 CO -0.22 0.35 0.11 0.82 -2.06 0.00 0.00 179.45 178.45 1cdn h ILE 73 N 0.55 0.89 0.00 1.86 2.04 -0.60 -1.86 117.51 120.39 1cdn h ILE 73 Ca 0.30 -0.09 -0.17 0.00 1.00 0.00 0.00 64.86 65.91 1cdn h ILE 73 Cb 0.28 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1cdn h ILE 73 CO -0.24 0.05 -0.24 -1.20 0.00 0.00 0.00 178.15 176.52 1cdn n SER 74 N -5.03 4.59 0.00 1.72 7.64 0.71 -5.00 113.62 118.25 1cdn n SER 74 Ca 0.01 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1cdn n SER 74 Cb 0.13 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 1cdn n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70