#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 4.08 0.38 4.39 1.04 -1.26 -4.61 113.70 117.72 1cdn s SER 2 Ca 0.00 1.82 0.17 0.00 0.48 0.00 0.00 55.95 58.42 1cdn s SER 2 Cb 0.00 -2.47 1.09 0.00 0.10 0.00 0.00 66.02 64.73 1cdn s SER 2 CO 0.00 -2.31 1.73 -0.65 0.98 0.00 0.00 173.24 173.00 1cdn h PRO 3 N -1.32 0.38 -0.23 4.02 0.11 -1.98 0.10 132.00 133.09 1cdn h PRO 3 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1cdn h PRO 3 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1cdn h PRO 3 CO 0.50 0.25 0.08 1.49 -0.21 0.00 0.00 178.00 180.12 1cdn h GLU 4 N 0.39 0.35 -0.24 1.05 4.81 -1.98 0.22 114.58 119.18 1cdn h GLU 4 Ca 0.65 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1cdn h GLU 4 Cb 1.58 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1cdn h GLU 4 CO -0.39 0.42 0.15 0.93 -0.73 0.00 0.00 179.01 179.39 1cdn h GLU 5 N 0.21 0.32 -0.83 1.92 5.08 -1.46 -0.42 114.58 119.41 1cdn h GLU 5 Ca 0.08 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1cdn h GLU 5 Cb 0.21 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1cdn h GLU 5 CO -0.00 0.24 0.54 -0.07 -1.00 0.00 0.00 179.01 178.72 1cdn h LEU 6 N 0.31 0.82 0.17 1.33 3.38 -0.66 0.12 115.31 120.78 1cdn h LEU 6 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cdn h LEU 6 Cb -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1cdn h LEU 6 CO -0.02 0.54 -0.08 0.50 0.09 0.00 0.00 178.44 179.47 1cdn h LYS 7 N 0.94 -0.21 -0.26 1.13 1.63 -0.05 0.27 116.57 120.02 1cdn h LYS 7 Ca 0.35 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.22 1cdn h LYS 7 Cb 0.18 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 1cdn h LYS 7 CO -0.12 -0.04 -0.10 0.78 -3.45 0.00 0.00 179.45 176.51 1cdn h GLY 8 N -0.34 0.13 0.51 5.01 0.00 -0.12 0.98 103.07 109.23 1cdn h GLY 8 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1cdn h GLY 8 CO 0.04 -0.13 -0.23 -2.22 0.00 0.00 0.00 176.54 174.00 1cdn h ILE 9 N -0.06 0.48 -0.41 2.60 2.04 -0.80 0.10 117.51 121.46 1cdn h ILE 9 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1cdn h ILE 9 Cb 0.26 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 1cdn h ILE 9 CO -0.30 0.00 -0.25 0.15 0.00 0.00 0.00 178.15 177.75 1cdn h PHE 10 N -0.37 -0.65 0.03 1.37 3.04 0.41 0.36 116.94 121.13 1cdn h PHE 10 Ca 0.05 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1cdn h PHE 10 Cb 0.44 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1cdn h PHE 10 CO -0.25 -0.32 -0.06 0.93 -2.02 0.00 0.00 178.31 176.59 1cdn h GLU 11 N -0.17 -0.11 -0.14 1.11 5.08 -0.51 0.18 114.58 120.02 1cdn h GLU 11 Ca 0.19 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1cdn h GLU 11 Cb 0.48 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1cdn h GLU 11 CO -0.52 -0.07 -0.54 -0.22 -1.00 0.00 0.00 179.01 176.66 1cdn h LYS 12 N -0.12 -0.56 0.00 2.33 3.64 -0.13 0.14 116.57 121.88 1cdn h LYS 12 Ca 0.01 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1cdn h LYS 12 Cb 0.13 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1cdn h LYS 12 CO -0.04 -0.37 -0.83 1.88 -2.27 0.00 0.00 179.45 177.82 1cdn h TYR 13 N -0.58 0.00 -0.21 1.91 0.05 -0.79 -0.40 116.97 116.96 1cdn h TYR 13 Ca 0.04 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1cdn h TYR 13 Cb 0.68 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1cdn h TYR 13 CO -0.58 0.83 0.00 0.00 -1.05 0.00 0.00 178.16 177.36 1cdn h ALA 14 N 1.17 0.29 -0.15 3.88 0.00 -0.52 -2.98 119.26 120.96 1cdn h ALA 14 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1cdn h ALA 14 Cb 1.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1cdn h ALA 14 CO 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 179.25 179.27 1cdn h ALA 15 N 0.80 1.56 -0.54 0.00 0.00 -0.55 -2.59 119.26 117.93 1cdn h ALA 15 Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1cdn h ALA 15 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cdn h ALA 15 CO 0.01 0.32 0.29 0.21 0.00 0.00 0.00 179.25 180.08 1cdn s LYS 16 N -4.79 1.76 0.00 0.00 2.20 -0.17 -3.89 119.74 114.85 1cdn s LYS 16 Ca -0.05 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1cdn s LYS 16 Cb 0.16 -4.79 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 1cdn s LYS 16 CO 0.73 -4.20 0.00 0.39 -0.36 0.00 0.00 175.35 171.91 1cdn n GLU 17 N 8.85 0.00 -0.30 4.03 1.02 -1.26 -4.90 120.64 128.07 1cdn n GLU 17 Ca 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.53 1cdn n GLU 17 Cb 0.45 -0.05 0.04 0.00 -0.02 0.00 0.00 31.44 31.86 1cdn n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cdn n GLY 18 N 0.00 -1.75 3.75 0.62 0.00 -0.99 -5.04 105.19 101.78 1cdn n GLY 18 Ca 0.00 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.01 7.25 0.62 1.61 -1.08 -1.16 -4.36 116.67 117.53 1cdn s ASP 19 Ca 0.15 1.49 0.28 0.00 -0.52 0.00 0.00 52.55 53.94 1cdn s ASP 19 Cb -0.01 -2.47 1.44 0.00 -1.46 0.00 0.00 42.92 40.41 1cdn s ASP 19 CO 0.11 0.05 1.84 1.55 0.52 0.00 0.00 175.17 179.23 1cdn h PRO 20 N 5.42 0.00 -0.01 4.34 0.13 -1.88 0.03 132.00 140.03 1cdn h PRO 20 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1cdn h PRO 20 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cdn h PRO 20 CO 0.70 0.00 -0.12 0.09 -0.23 0.00 0.00 178.00 178.44 1cdn n ASN 21 N -3.40 1.32 -3.66 1.44 3.02 -1.26 -4.50 115.26 108.22 1cdn n ASN 21 Ca 0.06 -1.24 -0.06 0.00 -0.03 0.00 0.00 54.58 53.31 1cdn n ASN 21 Cb 0.64 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.80 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 -2.23 0.47 -0.04 3.52 0.74 -0.00 -3.92 119.66 118.20 1cdn s GLN 22 Ca 0.31 1.17 -0.21 0.00 0.05 0.00 0.00 55.36 56.69 1cdn s GLN 22 Cb 0.20 0.45 -0.05 0.00 1.10 0.00 0.00 33.01 34.71 1cdn s GLN 22 CO 0.42 -0.21 0.59 -0.51 -0.55 0.00 0.00 175.29 175.03 1cdn s LEU 23 N 2.42 4.37 0.89 3.68 1.43 0.27 -3.89 118.68 127.85 1cdn s LEU 23 Ca -0.05 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 1cdn s LEU 23 Cb -0.11 -2.90 0.14 0.00 0.03 0.00 0.00 46.19 43.35 1cdn s LEU 23 CO -0.16 0.04 1.20 -0.94 0.23 0.00 0.00 176.35 176.73 1cdn s SER 24 N 0.14 3.72 0.17 2.29 1.04 -1.26 -0.56 113.70 119.24 1cdn s SER 24 Ca 0.31 0.68 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 1cdn s SER 24 Cb -0.17 -1.07 0.10 0.00 0.10 0.00 0.00 66.02 64.98 1cdn s SER 24 CO 0.16 -2.39 1.79 0.11 0.98 0.00 0.00 173.24 173.89 1cdn h LYS 25 N -1.39 0.49 -0.15 4.02 1.57 -1.98 -0.01 116.57 119.12 1cdn h LYS 25 Ca -0.47 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1cdn h LYS 25 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1cdn h LYS 25 CO 0.56 0.32 0.07 0.93 -0.57 0.00 0.00 179.45 180.76 1cdn h GLU 26 N 0.50 0.21 -0.40 3.15 3.07 -1.98 0.24 114.58 119.37 1cdn h GLU 26 Ca 0.20 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.08 1cdn h GLU 26 Cb 0.08 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 1cdn h GLU 26 CO -0.12 0.27 0.14 0.93 -1.40 0.00 0.00 179.01 178.82 1cdn h GLU 27 N 0.10 0.28 -0.64 2.33 5.08 -1.82 0.12 114.58 120.03 1cdn h GLU 27 Ca 0.05 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1cdn h GLU 27 Cb 0.13 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1cdn h GLU 27 CO -0.01 0.19 0.30 -0.07 -1.00 0.00 0.00 179.01 178.42 1cdn h LEU 28 N 0.29 0.39 -0.10 1.33 3.38 -0.60 0.96 115.31 120.96 1cdn h LEU 28 Ca 0.19 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1cdn h LEU 28 Cb 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1cdn h LEU 28 CO -0.20 0.24 0.05 0.50 0.09 0.00 0.00 178.44 179.12 1cdn h LYS 29 N 0.54 0.14 -0.36 1.13 3.64 0.11 0.22 116.57 121.99 1cdn h LYS 29 Ca 0.31 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1cdn h LYS 29 Cb 0.30 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1cdn h LYS 29 CO -0.25 0.18 0.20 -0.07 -2.27 0.00 0.00 179.45 177.24 1cdn h LEU 30 N 0.06 0.45 -0.04 5.20 -0.00 -0.68 0.17 115.31 120.46 1cdn h LEU 30 Ca 0.03 -0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1cdn h LEU 30 Cb 0.08 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 40.57 1cdn h LEU 30 CO -0.01 0.40 -0.51 0.25 -0.00 0.00 0.00 178.44 178.58 1cdn h LEU 31 N 0.46 -1.57 0.45 1.67 6.46 -0.53 0.52 115.31 122.76 1cdn h LEU 31 Ca 0.13 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1cdn h LEU 31 Cb 0.05 0.61 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1cdn h LEU 31 CO -0.02 -0.50 -0.43 -0.07 -0.62 0.00 0.00 178.44 176.80 1cdn h LEU 32 N -0.62 -1.17 -0.33 2.25 3.38 -0.32 0.48 115.31 118.98 1cdn h LEU 32 Ca 0.03 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1cdn h LEU 32 Cb 0.70 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1cdn h LEU 32 CO -0.38 -0.59 -0.21 -0.61 0.09 0.00 0.00 178.44 176.75 1cdn h GLN 33 N -0.89 -0.16 -0.01 1.13 4.15 -0.54 0.28 115.11 119.08 1cdn h GLN 33 Ca -0.05 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1cdn h GLN 33 Cb 0.78 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1cdn h GLN 33 CO -0.05 -0.11 -0.06 1.15 -1.93 0.00 0.00 178.83 177.83 1cdn h THR 34 N -0.16 1.56 0.03 2.39 2.02 -0.75 -3.19 112.91 114.81 1cdn h THR 34 Ca 0.17 -1.74 -0.30 0.00 0.77 0.00 0.00 66.41 65.31 1cdn h THR 34 Cb 0.42 2.70 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 1cdn h THR 34 CO -0.43 0.46 -1.72 -0.33 0.37 0.00 0.00 175.52 173.87 1cdn h GLU 35 N -0.64 0.06 -2.08 6.66 4.39 -0.86 -3.41 114.58 118.70 1cdn h GLU 35 Ca -0.01 -0.10 -0.54 0.00 0.34 0.00 0.00 59.36 59.06 1cdn h GLU 35 Cb 0.78 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.07 1cdn h GLU 35 CO 0.01 0.67 -0.99 1.19 -1.16 0.00 0.00 179.01 178.73 1cdn n PHE 36 N -3.15 1.16 0.32 4.33 3.72 0.99 -4.94 117.46 119.89 1cdn n PHE 36 Ca -0.19 -3.82 0.20 0.00 -0.05 0.00 0.00 57.45 53.59 1cdn n PHE 36 Cb 1.05 -0.43 1.11 0.00 -0.94 0.00 0.00 39.48 40.26 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 3.45 0.00 -0.43 -1.08 0.13 -1.51 0.18 132.00 132.74 1cdn h PRO 37 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1cdn h PRO 37 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1cdn h PRO 37 CO 0.59 0.00 0.08 0.77 -0.23 0.00 0.00 178.00 179.21 1cdn h SER 38 N 0.00 0.60 0.01 1.44 0.02 -1.90 -3.29 113.55 110.44 1cdn h SER 38 Ca -0.00 -0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 60.59 1cdn h SER 38 Cb 0.02 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1cdn h SER 38 CO 0.00 0.62 -1.39 0.18 -1.14 0.00 0.00 176.83 175.10 1cdn n LEU 39 N -4.29 1.92 0.00 5.07 4.77 0.45 -4.93 117.00 119.99 1cdn n LEU 39 Ca 0.03 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1cdn n LEU 39 Cb 0.22 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1cdn n LEU 39 CO 0.39 0.34 0.00 -0.11 -1.33 0.00 0.00 177.39 176.68 1cdn n LEU 40 N -4.35 0.00 -0.25 2.23 7.94 -0.17 -0.65 117.00 121.74 1cdn n LEU 40 Ca -0.34 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.49 1cdn n LEU 40 Cb 0.72 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.72 1cdn n LEU 40 CO 0.19 0.00 0.98 0.11 -1.11 0.00 0.00 177.39 177.57 1cdn h LYS 41 N 0.00 1.07 0.00 1.96 1.57 -1.90 -3.37 116.57 115.90 1cdn h LYS 41 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1cdn h LYS 41 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1cdn h LYS 41 CO 0.00 0.91 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1cdn n GLY 42 N -0.76 3.33 0.00 3.86 0.00 0.17 -4.13 105.19 107.66 1cdn n GLY 42 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.61 3.85 -0.02 0.00 -1.26 -4.85 105.19 101.30 1cdn n GLY 43 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 1cdn n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cdn s SER 44 N 0.00 2.84 0.59 1.61 1.04 -1.26 -5.04 113.70 113.48 1cdn s SER 44 Ca 0.00 0.46 -0.20 0.00 0.48 0.00 0.00 55.95 56.69 1cdn s SER 44 Cb 0.00 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 1cdn s SER 44 CO 0.00 -2.92 1.27 0.42 0.98 0.00 0.00 173.24 172.99 1cdn s THR 45 N -3.62 2.34 0.23 2.02 -4.23 -1.26 -4.66 115.64 106.46 1cdn s THR 45 Ca 0.71 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1cdn s THR 45 Cb -0.07 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.88 1cdn s THR 45 CO 0.53 -0.03 1.70 0.25 -0.54 0.00 0.00 174.62 176.53 1cdn h LEU 46 N 1.00 0.06 0.50 4.79 5.85 -1.97 0.15 115.31 125.70 1cdn h LEU 46 Ca -0.51 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1cdn h LEU 46 Cb 1.31 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1cdn h LEU 46 CO 0.55 0.01 -0.34 0.44 -0.34 0.00 0.00 178.44 178.76 1cdn h ASP 47 N 0.30 -0.87 -0.48 1.25 5.19 -1.92 0.16 116.42 120.05 1cdn h ASP 47 Ca 0.38 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.93 1cdn h ASP 47 Cb 0.61 0.27 -0.06 0.00 0.18 0.00 0.00 39.33 40.33 1cdn h ASP 47 CO -0.46 -0.52 0.11 -0.33 -3.12 0.00 0.00 179.24 174.93 1cdn h GLU 48 N -0.81 0.25 -0.13 3.56 4.39 -1.60 -0.39 114.58 119.86 1cdn h GLU 48 Ca -0.05 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1cdn h GLU 48 Cb 0.68 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1cdn h GLU 48 CO 0.03 0.17 -0.24 1.25 -1.16 0.00 0.00 179.01 179.06 1cdn h LEU 49 N 0.26 -0.75 -0.28 1.33 5.85 -0.50 0.99 115.31 122.21 1cdn h LEU 49 Ca 0.24 0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.14 1cdn h LEU 49 Cb 0.30 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1cdn h LEU 49 CO -0.29 -0.29 -0.15 0.15 -0.34 0.00 0.00 178.44 177.51 1cdn h PHE 50 N -0.31 -0.37 -0.19 1.25 3.57 0.43 0.23 116.94 121.55 1cdn h PHE 50 Ca 0.10 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1cdn h PHE 50 Cb 0.46 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1cdn h PHE 50 CO -0.34 -0.22 -0.05 0.93 -2.23 0.00 0.00 178.31 176.39 1cdn h GLU 51 N -0.12 -0.00 -0.87 1.11 3.07 -0.70 0.34 114.58 117.41 1cdn h GLU 51 Ca 0.15 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.10 1cdn h GLU 51 Cb 0.34 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.18 1cdn h GLU 51 CO -0.36 -0.00 0.52 0.93 -1.40 0.00 0.00 179.01 178.70 1cdn h GLU 52 N -0.00 0.86 0.32 2.33 5.08 0.45 -2.76 114.58 120.86 1cdn h GLU 52 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1cdn h GLU 52 Cb 0.14 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1cdn h GLU 52 CO -0.20 0.57 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.16 1cdn h LEU 53 N 0.88 -0.37 -7.80 1.33 3.38 -0.21 -3.36 115.31 109.16 1cdn h LEU 53 Ca 0.41 -0.17 -0.53 0.00 0.09 0.00 0.00 57.88 57.69 1cdn h LEU 53 Cb 0.33 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1cdn h LEU 53 CO -0.23 0.00 1.75 -0.67 0.09 0.00 0.00 178.44 179.38 1cdn n ASP 54 N -5.14 4.01 -4.56 -0.43 -0.08 0.07 -4.59 116.55 105.84 1cdn n ASP 54 Ca -0.10 -2.81 -0.20 0.00 -1.51 0.00 0.00 54.79 50.17 1cdn n ASP 54 Cb 0.27 -1.72 -0.06 0.00 2.34 0.00 0.00 41.12 41.94 1cdn n ASP 54 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1cdn s LYS 55 N 5.20 2.07 -1.66 -0.67 -0.14 -1.25 -4.00 119.74 119.29 1cdn s LYS 55 Ca 0.60 0.05 -0.08 0.00 -1.36 0.00 0.00 55.97 55.18 1cdn s LYS 55 Cb 0.03 -4.93 0.08 0.00 -1.68 0.00 0.00 37.83 31.32 1cdn s LYS 55 CO 0.10 -3.95 0.25 0.27 -0.76 0.00 0.00 175.35 171.26 1cdn n ASN 56 N 16.33 -0.19 0.00 2.83 2.04 -1.26 -4.93 115.26 130.08 1cdn n ASN 56 Ca 0.43 -1.24 0.00 0.00 -0.44 0.00 0.00 54.58 53.33 1cdn n ASN 56 Cb 0.45 -1.74 0.00 0.00 -2.53 0.00 0.00 39.78 35.96 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cdn n GLY 57 N -2.02 1.07 0.46 4.83 0.00 -1.26 -5.04 105.19 103.25 1cdn n GLY 57 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.45 0.00 1.61 5.75 -1.26 -5.09 116.55 118.01 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 1.78 1.27 3.73 6.12 0.00 -1.26 -5.12 105.19 111.71 1cdn n GLY 59 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 4.52 -0.42 1.61 2.02 -1.26 -4.67 118.70 120.49 1cdn s GLU 60 Ca 0.00 1.77 -0.23 0.00 0.02 0.00 0.00 54.97 56.53 1cdn s GLU 60 Cb 0.00 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.96 1cdn s GLU 60 CO 0.00 -0.07 0.76 0.08 0.02 0.00 0.00 175.26 176.05 1cdn s VAL 61 N 0.23 4.70 0.67 2.63 1.01 0.28 -4.73 120.40 125.19 1cdn s VAL 61 Ca 0.53 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1cdn s VAL 61 Cb -0.30 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1cdn s VAL 61 CO 0.33 -0.62 1.07 -0.44 0.00 0.00 0.00 175.10 175.44 1cdn s SER 62 N 2.04 5.73 0.34 3.32 0.01 -1.26 -0.56 113.70 123.31 1cdn s SER 62 Ca 0.29 1.29 0.07 0.00 1.31 0.00 0.00 55.95 58.91 1cdn s SER 62 Cb -0.13 -2.20 0.75 0.00 0.21 0.00 0.00 66.02 64.66 1cdn s SER 62 CO 0.21 -1.18 1.86 0.15 0.41 0.00 0.00 173.24 174.69 1cdn h PHE 63 N -0.54 0.90 0.57 2.43 3.57 -1.96 0.12 116.94 122.04 1cdn h PHE 63 Ca -0.45 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 1cdn h PHE 63 Cb 1.22 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.69 1cdn h PHE 63 CO 0.57 0.34 -0.28 0.93 -2.23 0.00 0.00 178.31 177.65 1cdn h GLU 64 N 0.77 -0.74 -0.60 1.11 3.07 -1.93 -2.23 114.58 114.02 1cdn h GLU 64 Ca 0.46 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.36 1cdn h GLU 64 Cb 0.66 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.71 1cdn h GLU 64 CO -0.22 -0.43 0.31 1.05 -1.40 0.00 0.00 179.01 178.32 1cdn h GLU 65 N -1.04 0.83 -0.44 2.33 4.11 -1.79 0.20 114.58 118.78 1cdn h GLU 65 Ca -0.08 -0.09 0.13 0.00 0.07 0.00 0.00 59.36 59.39 1cdn h GLU 65 Cb 0.65 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1cdn h GLU 65 CO 0.13 0.62 0.46 0.35 0.07 0.00 0.00 179.01 180.64 1cdn h PHE 66 N 0.83 0.00 -0.16 2.06 3.57 -0.66 -0.32 116.94 122.26 1cdn h PHE 66 Ca 0.21 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1cdn h PHE 66 Cb 0.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1cdn h PHE 66 CO 0.01 0.00 0.29 1.96 -2.23 0.00 0.00 178.31 178.34 1cdn h GLN 67 N 0.00 0.00 -0.64 1.11 1.08 -0.32 0.27 115.11 116.62 1cdn h GLN 67 Ca 0.21 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.52 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 0.43 0.28 -0.95 0.00 0.00 178.83 178.58 1cdn h VAL 68 N 0.00 0.87 -0.00 -0.54 2.07 -1.23 0.13 116.25 117.55 1cdn h VAL 68 Ca 0.08 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1cdn h VAL 68 Cb 0.67 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1cdn h VAL 68 CO -0.00 0.07 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 1cdn h LEU 69 N 0.41 0.01 -0.88 2.57 5.85 -0.66 -3.08 115.31 119.52 1cdn h LEU 69 Ca 0.30 -0.71 0.18 0.00 0.84 0.00 0.00 57.88 58.49 1cdn h LEU 69 Cb 0.62 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.54 1cdn h LEU 69 CO -0.08 0.71 0.44 0.58 -0.34 0.00 0.00 178.44 179.75 1cdn h VAL 70 N -0.70 0.63 0.03 1.05 2.07 -1.22 0.10 116.25 118.22 1cdn h VAL 70 Ca -0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1cdn h VAL 70 Cb 0.71 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1cdn h VAL 70 CO 0.00 0.10 -0.44 0.50 0.02 0.00 0.00 177.57 177.76 1cdn h LYS 71 N 0.56 -0.59 -0.74 1.57 1.63 -0.80 0.25 116.57 118.45 1cdn h LYS 71 Ca 0.51 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.44 1cdn h LYS 71 Cb 0.83 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.53 1cdn h LYS 71 CO -0.42 -0.39 0.39 0.87 -3.45 0.00 0.00 179.45 176.45 1cdn h LYS 72 N -0.61 0.66 -0.76 1.90 6.56 -0.89 -0.31 116.57 123.12 1cdn h LYS 72 Ca 0.04 -0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1cdn h LYS 72 Cb 0.67 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.14 1cdn h LYS 72 CO -0.30 0.43 0.50 0.82 -2.06 0.00 0.00 179.45 178.84 1cdn h ILE 73 N 0.68 1.13 -3.57 1.86 2.04 -0.33 -3.46 117.51 115.85 1cdn h ILE 73 Ca 0.36 -0.32 -0.41 0.00 1.00 0.00 0.00 64.86 65.48 1cdn h ILE 73 Cb 0.34 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1cdn h ILE 73 CO -0.25 0.17 -0.56 -0.24 0.00 0.00 0.00 178.15 177.27 1cdn n SER 74 N -4.45 -5.99 0.00 1.72 2.88 0.84 -5.04 113.62 103.59 1cdn n SER 74 Ca 0.09 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1cdn n SER 74 Cb 0.11 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 58.66 1cdn n SER 74 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48