#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 3.76 0.40 4.39 1.04 -1.26 -4.72 113.70 117.31 1cdn s SER 2 Ca 0.00 2.22 0.19 0.00 0.48 0.00 0.00 55.95 58.84 1cdn s SER 2 Cb 0.00 -2.57 1.12 0.00 0.10 0.00 0.00 66.02 64.67 1cdn s SER 2 CO 0.00 -2.55 1.76 -0.65 0.98 0.00 0.00 173.24 172.78 1cdn h PRO 3 N -1.00 0.36 0.27 4.02 0.11 -1.97 0.99 132.00 134.79 1cdn h PRO 3 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1cdn h PRO 3 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cdn h PRO 3 CO 0.47 0.24 -0.13 0.93 -0.21 0.00 0.00 178.00 179.30 1cdn h GLU 4 N 0.38 -0.36 -0.48 1.05 5.08 -1.99 0.30 114.58 118.57 1cdn h GLU 4 Ca 0.61 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 59.06 1cdn h GLU 4 Cb 1.57 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.84 1cdn h GLU 4 CO -0.31 -0.15 0.16 0.93 -1.00 0.00 0.00 179.01 178.64 1cdn h GLU 5 N -0.49 0.32 -0.56 2.33 5.08 -1.60 -0.41 114.58 119.26 1cdn h GLU 5 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1cdn h GLU 5 Cb 0.37 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1cdn h GLU 5 CO 0.06 0.21 0.33 -0.07 -1.00 0.00 0.00 179.01 178.54 1cdn h LEU 6 N 0.33 0.66 -0.18 1.33 3.38 -0.67 0.86 115.31 121.03 1cdn h LEU 6 Ca 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1cdn h LEU 6 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cdn h LEU 6 CO -0.24 0.51 0.09 0.50 0.09 0.00 0.00 178.44 179.39 1cdn h LYS 7 N 0.76 0.25 -0.17 1.13 3.11 0.53 0.25 116.57 122.44 1cdn h LYS 7 Ca 0.20 -0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.05 1cdn h LYS 7 Cb -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.11 1cdn h LYS 7 CO -0.04 0.28 -0.17 0.78 -2.81 0.00 0.00 179.45 177.50 1cdn h GLY 8 N 0.16 -0.07 0.55 5.01 0.00 0.07 0.62 103.07 109.41 1cdn h GLY 8 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1cdn h GLY 8 CO -0.01 -0.16 -0.26 -2.22 0.00 0.00 0.00 176.54 173.89 1cdn h ILE 9 N -0.19 0.43 -0.59 2.60 1.08 -0.82 0.72 117.51 120.74 1cdn h ILE 9 Ca 0.11 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.70 1cdn h ILE 9 Cb 0.35 0.43 -0.11 0.00 -3.07 0.00 0.00 36.82 34.42 1cdn h ILE 9 CO -0.28 0.00 -0.19 0.15 -0.69 0.00 0.00 178.15 177.14 1cdn h PHE 10 N -0.47 -0.43 0.29 1.37 3.04 0.09 -0.02 116.94 120.81 1cdn h PHE 10 Ca 0.03 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1cdn h PHE 10 Cb 0.49 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1cdn h PHE 10 CO -0.24 -0.29 -0.14 0.93 -2.02 0.00 0.00 178.31 176.56 1cdn h GLU 11 N -0.04 -0.37 -0.81 1.11 5.08 -0.54 0.13 114.58 119.13 1cdn h GLU 11 Ca 0.28 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.83 1cdn h GLU 11 Cb 0.47 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1cdn h GLU 11 CO -0.63 -0.18 -0.17 -0.22 -1.00 0.00 0.00 179.01 176.81 1cdn h LYS 12 N -0.49 0.01 0.02 2.33 3.64 0.20 0.12 116.57 122.40 1cdn h LYS 12 Ca -0.04 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1cdn h LYS 12 Cb 0.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1cdn h LYS 12 CO 0.07 0.01 -0.01 1.88 -2.27 0.00 0.00 179.45 179.12 1cdn h TYR 13 N 0.01 -0.02 -0.18 1.91 0.05 -0.93 -3.28 116.97 114.52 1cdn h TYR 13 Ca 0.40 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.21 1cdn h TYR 13 Cb 0.63 0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 1cdn h TYR 13 CO -0.61 0.68 -0.51 0.00 -1.05 0.00 0.00 178.16 176.67 1cdn h ALA 14 N -0.19 -0.85 -0.01 3.88 0.00 -0.39 -1.16 119.26 120.55 1cdn h ALA 14 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cdn h ALA 14 Cb 0.72 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1cdn h ALA 14 CO 0.00 -1.05 0.25 0.00 0.00 0.00 0.00 179.25 178.46 1cdn h ALA 15 N -0.32 1.28 0.00 0.00 0.00 -0.87 0.32 119.26 119.67 1cdn h ALA 15 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cdn h ALA 15 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cdn h ALA 15 CO -0.44 -0.25 -0.06 -0.22 0.00 0.00 0.00 179.25 178.28 1cdn h LYS 16 N 0.00 0.00 0.00 0.00 3.64 -1.26 -3.41 116.57 115.53 1cdn h LYS 16 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cdn h LYS 16 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1cdn h LYS 16 CO -0.00 0.06 0.00 -1.91 -2.27 0.00 0.00 179.45 175.33 1cdn n GLU 17 N -3.67 0.00 -1.87 1.90 0.00 -0.57 -5.14 120.64 111.29 1cdn n GLU 17 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.84 1cdn n GLU 17 Cb 0.16 -0.03 0.16 0.00 0.00 0.00 0.00 31.44 31.72 1cdn n GLU 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1cdn s GLY 18 N -2.49 1.71 0.39 8.31 0.00 0.10 -5.02 107.32 110.32 1cdn s GLY 18 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 1cdn s GLY 18 CO 0.00 -0.31 1.42 -0.35 0.00 0.00 0.00 173.10 173.85 1cdn s ASP 19 N -4.72 6.33 0.60 1.64 -1.08 -1.25 -3.81 116.67 114.38 1cdn s ASP 19 Ca 0.70 2.91 0.28 0.00 -0.52 0.00 0.00 52.55 55.92 1cdn s ASP 19 Cb -0.07 -2.66 1.42 0.00 -1.46 0.00 0.00 42.92 40.16 1cdn s ASP 19 CO 0.52 -0.86 1.83 1.55 0.52 0.00 0.00 175.17 178.73 1cdn h PRO 20 N 2.91 0.00 -0.10 4.34 0.13 -1.90 0.11 132.00 137.48 1cdn h PRO 20 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1cdn h PRO 20 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1cdn h PRO 20 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1cdn n ASN 21 N -3.53 1.41 -3.57 1.44 3.02 -1.26 -4.40 115.26 108.37 1cdn n ASN 21 Ca 0.08 -1.59 -0.11 0.00 -0.03 0.00 0.00 54.58 52.92 1cdn n ASN 21 Cb 0.71 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.88 0.25 -0.01 3.52 0.74 0.38 -3.40 119.66 119.27 1cdn s GLN 22 Ca 0.34 0.72 -0.21 0.00 0.05 0.00 0.00 55.36 56.26 1cdn s GLN 22 Cb 0.18 -0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.08 1cdn s GLN 22 CO 0.28 -0.40 0.62 -0.51 -0.55 0.00 0.00 175.29 174.73 1cdn s LEU 23 N 2.50 4.41 0.97 3.68 1.43 0.41 -3.89 118.68 128.19 1cdn s LEU 23 Ca 0.04 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.17 1cdn s LEU 23 Cb -0.13 -2.97 0.21 0.00 0.03 0.00 0.00 46.19 43.33 1cdn s LEU 23 CO -0.12 0.07 1.33 -0.94 0.23 0.00 0.00 176.35 176.91 1cdn s SER 24 N -0.06 3.03 0.29 2.29 1.04 -1.26 -0.81 113.70 118.22 1cdn s SER 24 Ca 0.32 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 1cdn s SER 24 Cb -0.18 -0.21 0.47 0.00 0.10 0.00 0.00 66.02 66.19 1cdn s SER 24 CO 0.18 -2.78 1.92 0.11 0.98 0.00 0.00 173.24 173.64 1cdn h LYS 25 N -1.66 1.07 0.05 4.02 1.57 -1.98 -0.61 116.57 119.02 1cdn h LYS 25 Ca -0.44 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1cdn h LYS 25 Cb 1.23 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1cdn h LYS 25 CO 0.36 0.71 -0.02 0.93 -0.57 0.00 0.00 179.45 180.85 1cdn h GLU 26 N 1.10 -0.06 -0.63 3.15 3.07 -1.98 0.29 114.58 119.52 1cdn h GLU 26 Ca 0.38 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.32 1cdn h GLU 26 Cb 0.12 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 1cdn h GLU 26 CO -0.13 0.33 0.31 0.93 -1.40 0.00 0.00 179.01 179.05 1cdn h GLU 27 N -0.46 0.55 -0.72 2.33 3.07 -1.86 0.55 114.58 118.04 1cdn h GLU 27 Ca -0.01 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1cdn h GLU 27 Cb 0.41 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 1cdn h GLU 27 CO 0.01 0.36 0.41 -0.07 -1.40 0.00 0.00 179.01 178.33 1cdn h LEU 28 N 0.57 0.63 -0.12 1.33 3.38 -0.86 0.11 115.31 120.33 1cdn h LEU 28 Ca 0.29 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1cdn h LEU 28 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1cdn h LEU 28 CO -0.22 0.40 0.08 0.50 0.09 0.00 0.00 178.44 179.29 1cdn h LYS 29 N 0.76 0.16 -0.25 1.13 3.64 0.10 0.23 116.57 122.34 1cdn h LYS 29 Ca 0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1cdn h LYS 29 Cb 0.18 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1cdn h LYS 29 CO -0.18 0.12 0.17 -0.07 -2.27 0.00 0.00 179.45 177.22 1cdn h LEU 30 N 0.15 0.29 0.07 5.20 3.38 -0.71 0.18 115.31 123.87 1cdn h LEU 30 Ca 0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1cdn h LEU 30 Cb -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1cdn h LEU 30 CO -0.01 0.22 -0.43 0.25 0.09 0.00 0.00 178.44 178.56 1cdn h LEU 31 N 0.34 -1.28 0.15 1.67 6.46 -0.49 -0.11 115.31 122.04 1cdn h LEU 31 Ca 0.09 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1cdn h LEU 31 Cb -0.03 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1cdn h LEU 31 CO -0.02 -0.48 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.00 1cdn h LEU 32 N -0.63 -0.68 -0.33 2.25 3.38 -0.36 0.44 115.31 119.37 1cdn h LEU 32 Ca 0.03 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1cdn h LEU 32 Cb 0.68 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1cdn h LEU 32 CO -0.28 -0.34 -0.06 -0.61 0.09 0.00 0.00 178.44 177.24 1cdn h GLN 33 N -0.47 0.02 0.09 1.13 4.15 -0.39 0.34 115.11 119.98 1cdn h GLN 33 Ca 0.02 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1cdn h GLN 33 Cb 0.48 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1cdn h GLN 33 CO -0.12 0.01 -0.04 1.15 -1.93 0.00 0.00 178.83 177.90 1cdn h THR 34 N 0.02 1.12 0.03 2.39 2.02 -0.83 -3.31 112.91 114.36 1cdn h THR 34 Ca 0.16 -1.36 -0.28 0.00 0.77 0.00 0.00 66.41 65.70 1cdn h THR 34 Cb 0.24 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1cdn h THR 34 CO -0.33 0.30 -1.57 -0.33 0.37 0.00 0.00 175.52 173.97 1cdn h GLU 35 N -0.81 0.07 -1.48 6.66 4.39 -0.85 -3.42 114.58 119.15 1cdn h GLU 35 Ca -0.01 -0.11 -0.44 0.00 0.34 0.00 0.00 59.36 59.13 1cdn h GLU 35 Cb 0.59 0.04 -0.33 0.00 -0.10 0.00 0.00 28.75 28.95 1cdn h GLU 35 CO 0.02 0.76 -0.98 1.19 -1.16 0.00 0.00 179.01 178.84 1cdn n PHE 36 N -3.21 -0.84 0.16 4.33 3.72 0.11 -4.97 117.46 116.76 1cdn n PHE 36 Ca -0.15 -3.26 0.11 0.00 -0.05 0.00 0.00 57.45 54.10 1cdn n PHE 36 Cb 1.03 0.13 0.63 0.00 -0.94 0.00 0.00 39.48 40.33 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 3.42 0.06 -0.21 -1.08 0.13 -1.50 0.22 132.00 133.04 1cdn h PRO 37 Ca 0.03 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 1cdn h PRO 37 Cb 0.97 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1cdn h PRO 37 CO 0.41 0.04 -0.14 1.03 -0.23 0.00 0.00 178.00 179.11 1cdn h SER 38 N 0.06 0.32 0.89 1.44 0.87 -1.92 -0.62 113.55 114.60 1cdn h SER 38 Ca 0.08 -0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 1cdn h SER 38 Cb 0.26 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1cdn h SER 38 CO -0.01 0.50 -1.14 -0.07 -0.53 0.00 0.00 176.83 175.57 1cdn h LEU 39 N 0.32 0.00 -0.06 2.23 3.38 -1.00 0.16 115.31 120.34 1cdn h LEU 39 Ca 0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1cdn h LEU 39 Cb 0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1cdn h LEU 39 CO 0.03 1.00 -0.15 0.25 0.09 0.00 0.00 178.44 179.66 1cdn h LEU 40 N 0.00 -0.44 0.04 1.67 5.85 -0.45 0.20 115.31 122.18 1cdn h LEU 40 Ca -0.07 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1cdn h LEU 40 Cb 1.82 0.20 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1cdn h LEU 40 CO 0.12 -0.20 -0.02 0.11 -0.34 0.00 0.00 178.44 178.11 1cdn h LYS 41 N -0.21 -0.05 -0.43 1.25 1.79 -1.14 -3.23 116.57 114.55 1cdn h LYS 41 Ca 0.07 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1cdn h LYS 41 Cb 0.31 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1cdn h LYS 41 CO -0.19 0.19 0.06 0.78 -1.08 0.00 0.00 179.45 179.21 1cdn h GLY 42 N -0.29 0.49 -5.63 3.86 0.00 -0.57 -2.85 103.07 98.08 1cdn h GLY 42 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1cdn h GLY 42 CO 0.01 -0.07 2.97 0.61 0.00 0.00 0.00 176.54 180.06 1cdn n GLY 43 N -1.27 3.53 0.14 4.60 0.00 0.69 -4.81 105.19 108.06 1cdn n GLY 43 Ca 0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 5.03 -0.33 -4.53 1.61 3.41 -1.08 -3.64 113.62 114.08 1cdn n SER 44 Ca 0.56 0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 59.41 1cdn n SER 44 Cb 0.26 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 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 -5.18 3.79 -0.01 6.66 -4.23 -1.26 -5.00 115.64 110.41 1cdn s THR 45 Ca -0.04 -0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 59.83 1cdn s THR 45 Cb 0.04 -2.61 -0.20 0.00 1.34 0.00 0.00 72.50 71.07 1cdn s THR 45 CO 0.21 0.54 1.16 -0.07 -0.54 0.00 0.00 174.62 175.92 1cdn h LEU 46 N 6.05 0.30 -0.75 4.79 3.38 -1.93 -3.24 115.31 123.91 1cdn h LEU 46 Ca -0.39 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.09 1cdn h LEU 46 Cb 1.19 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1cdn h LEU 46 CO 0.58 0.90 0.25 0.44 0.09 0.00 0.00 178.44 180.70 1cdn h ASP 47 N -0.28 0.16 -0.20 -0.43 5.19 -1.96 0.21 116.42 119.12 1cdn h ASP 47 Ca -0.01 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1cdn h ASP 47 Cb 0.89 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1cdn h ASP 47 CO 0.05 0.03 0.11 -0.33 -3.12 0.00 0.00 179.24 175.99 1cdn h GLU 48 N 0.36 0.23 0.02 3.56 3.07 -1.97 0.93 114.58 120.79 1cdn h GLU 48 Ca 0.42 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1cdn h GLU 48 Cb 0.69 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1cdn h GLU 48 CO -0.46 0.15 -0.06 1.25 -1.40 0.00 0.00 179.01 178.49 1cdn h LEU 49 N 0.24 -0.17 -0.39 1.33 6.46 -1.05 0.76 115.31 122.49 1cdn h LEU 49 Ca 0.08 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 1cdn h LEU 49 Cb -0.01 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 1cdn h LEU 49 CO -0.03 -0.10 -0.13 0.15 -0.62 0.00 0.00 178.44 177.71 1cdn h PHE 50 N -0.12 -0.30 -0.62 1.25 3.57 -0.41 0.26 116.94 120.57 1cdn h PHE 50 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1cdn h PHE 50 Cb 0.14 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1cdn h PHE 50 CO -0.12 -0.21 0.38 1.49 -2.23 0.00 0.00 178.31 177.62 1cdn h GLU 51 N -0.04 0.84 -0.77 1.11 4.57 -0.54 0.14 114.58 119.89 1cdn h GLU 51 Ca 0.19 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.40 1cdn h GLU 51 Cb 0.33 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 1cdn h GLU 51 CO -0.43 0.60 0.41 1.49 -1.18 0.00 0.00 179.01 179.90 1cdn h GLU 52 N 0.84 0.65 0.33 1.92 4.22 0.51 -2.65 114.58 120.41 1cdn h GLU 52 Ca 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.61 1cdn h GLU 52 Cb -0.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1cdn h GLU 52 CO -0.04 0.43 -0.16 -0.07 -2.18 0.00 0.00 179.01 176.99 1cdn h LEU 53 N 0.67 -0.38 -8.02 1.64 3.38 -0.48 -3.40 115.31 108.73 1cdn h LEU 53 Ca 0.38 0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.62 1cdn h LEU 53 Cb 0.39 0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.02 1cdn h LEU 53 CO -0.27 -0.16 0.10 -0.62 0.09 0.00 0.00 178.44 177.59 1cdn s ASP 54 N -3.65 6.42 -1.18 -0.43 2.15 0.44 -4.80 116.67 115.62 1cdn s ASP 54 Ca -0.07 -2.00 -0.22 0.00 0.43 0.00 0.00 52.55 50.69 1cdn s ASP 54 Cb 0.01 -2.26 -0.08 0.00 -0.30 0.00 0.00 42.92 40.29 1cdn s ASP 54 CO 0.20 -0.87 1.92 0.29 -0.17 0.00 0.00 175.17 176.54 1cdn n LYS 55 N 5.31 1.70 -3.26 4.34 4.76 -1.01 -4.32 118.16 125.68 1cdn n LYS 55 Ca 0.01 -2.50 -0.14 0.00 -2.87 0.00 0.00 58.31 52.81 1cdn n LYS 55 Cb 0.44 -3.68 -0.04 0.00 -1.84 0.00 0.00 35.03 29.90 1cdn n LYS 55 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1cdn n ASN 56 N 13.70 0.28 0.00 4.39 6.94 -1.26 -4.87 115.26 134.44 1cdn n ASN 56 Ca 0.45 -0.57 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 1cdn n ASN 56 Cb 0.46 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.59 1.43 0.09 4.83 0.00 -1.26 -4.72 105.19 103.96 1cdn n GLY 57 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.47 0.72 0.00 1.61 5.75 -1.26 -4.99 116.55 117.91 1cdn n ASP 58 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1cdn n ASP 58 Cb 0.00 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.28 0.83 3.42 6.12 0.00 -1.26 -5.05 105.19 110.53 1cdn n GLY 59 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.68 1.56 -0.41 1.61 2.02 -1.26 -4.96 118.70 116.58 1cdn s GLU 60 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 54.97 53.36 1cdn s GLU 60 Cb 0.00 0.39 0.09 0.00 0.10 0.00 0.00 34.13 34.71 1cdn s GLU 60 CO 0.00 -0.61 0.22 0.08 0.02 0.00 0.00 175.26 174.97 1cdn s VAL 61 N -3.75 3.75 0.85 2.63 1.01 0.01 -4.79 120.40 120.12 1cdn s VAL 61 Ca 0.31 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 1cdn s VAL 61 Cb 0.02 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 33.11 1cdn s VAL 61 CO 0.15 -0.56 1.19 -0.55 0.00 0.00 0.00 175.10 175.32 1cdn s SER 62 N 2.00 4.10 0.22 3.32 0.15 -1.26 -0.44 113.70 121.78 1cdn s SER 62 Ca 0.04 0.76 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 1cdn s SER 62 Cb -0.23 -1.22 0.18 0.00 -1.71 0.00 0.00 66.02 63.04 1cdn s SER 62 CO -0.01 -2.16 1.76 0.15 1.20 0.00 0.00 173.24 174.18 1cdn h PHE 63 N -1.23 1.17 0.80 3.44 3.57 -1.94 0.46 116.94 123.20 1cdn h PHE 63 Ca -0.47 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 60.88 1cdn h PHE 63 Cb 1.32 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1cdn h PHE 63 CO 0.12 0.92 -0.38 0.93 -2.23 0.00 0.00 178.31 177.66 1cdn h GLU 64 N 1.09 -1.03 -0.60 1.11 5.08 -1.94 -2.00 114.58 116.30 1cdn h GLU 64 Ca 0.24 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1cdn h GLU 64 Cb 0.29 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1cdn h GLU 64 CO -0.01 -0.68 0.32 1.05 -1.00 0.00 0.00 179.01 178.69 1cdn h GLU 65 N -1.14 0.82 -0.47 2.33 4.11 -1.88 0.80 114.58 119.15 1cdn h GLU 65 Ca -0.11 -0.09 0.14 0.00 0.07 0.00 0.00 59.36 59.37 1cdn h GLU 65 Cb 0.83 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1cdn h GLU 65 CO 0.18 0.61 0.45 0.35 0.07 0.00 0.00 179.01 180.67 1cdn h PHE 66 N 0.83 0.00 -0.29 2.06 3.57 -0.71 0.10 116.94 122.50 1cdn h PHE 66 Ca 0.21 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1cdn h PHE 66 Cb 0.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1cdn h PHE 66 CO 0.01 0.00 0.32 1.96 -2.23 0.00 0.00 178.31 178.37 1cdn h GLN 67 N 0.00 0.00 -0.67 1.11 1.08 -0.06 0.28 115.11 116.85 1cdn h GLN 67 Ca 0.22 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.57 1cdn h GLN 67 Cb 1.13 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.52 1cdn h GLN 67 CO -0.00 0.00 0.46 0.28 -0.95 0.00 0.00 178.83 178.61 1cdn h VAL 68 N 0.00 0.78 0.00 -0.54 2.07 -1.12 0.51 116.25 117.95 1cdn h VAL 68 Ca 0.14 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1cdn h VAL 68 Cb 0.79 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1cdn h VAL 68 CO -0.00 0.05 -0.00 0.25 0.02 0.00 0.00 177.57 177.89 1cdn h LEU 69 N 0.27 -0.00 -0.72 2.57 6.46 -0.65 -3.30 115.31 119.94 1cdn h LEU 69 Ca 0.32 -0.83 0.14 0.00 -0.12 0.00 0.00 57.88 57.39 1cdn h LEU 69 Cb 0.89 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.72 1cdn h LEU 69 CO -0.07 0.84 0.22 0.58 -0.62 0.00 0.00 178.44 179.39 1cdn h VAL 70 N -0.86 0.60 -0.89 1.05 2.07 -0.73 0.17 116.25 117.66 1cdn h VAL 70 Ca -0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1cdn h VAL 70 Cb 0.84 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1cdn h VAL 70 CO 0.00 0.06 0.58 0.07 0.02 0.00 0.00 177.57 178.31 1cdn h LYS 71 N 0.34 1.17 -0.39 1.57 2.10 -1.09 0.12 116.57 120.39 1cdn h LYS 71 Ca 0.40 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.87 1cdn h LYS 71 Cb 0.64 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1cdn h LYS 71 CO -0.45 0.78 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.39 1cdn h LYS 72 N 1.21 0.80 -0.31 0.07 3.11 -0.93 0.17 116.57 120.69 1cdn h LYS 72 Ca 0.32 -0.35 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1cdn h LYS 72 Cb -0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.05 1cdn h LYS 72 CO -0.07 0.97 0.15 0.82 -2.81 0.00 0.00 179.45 178.51 1cdn h ILE 73 N 0.61 0.98 -0.85 2.00 1.08 -0.25 -2.94 117.51 118.15 1cdn h ILE 73 Ca 0.09 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1cdn h ILE 73 Cb 0.72 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 1cdn h ILE 73 CO 0.05 0.06 0.44 0.28 -0.69 0.00 0.00 178.15 178.29 1cdn h SER 74 N 0.32 1.08 0.00 1.72 0.02 -0.37 -3.48 113.55 112.84 1cdn h SER 74 Ca 0.13 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1cdn h SER 74 Cb 0.05 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1cdn h SER 74 CO -0.09 0.89 0.00 1.67 -1.14 0.00 0.00 176.83 178.15