#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 6.18 0.32 4.39 1.04 -1.26 -4.83 113.70 119.54 1cdn s SER 2 Ca 0.00 1.51 0.11 0.00 0.48 0.00 0.00 55.95 58.05 1cdn s SER 2 Cb 0.00 -2.49 0.97 0.00 0.10 0.00 0.00 66.02 64.60 1cdn s SER 2 CO 0.00 -0.90 1.66 -0.65 0.98 0.00 0.00 173.24 174.33 1cdn h PRO 3 N -0.02 0.30 -0.06 4.02 0.11 -2.05 0.11 132.00 134.41 1cdn h PRO 3 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1cdn h PRO 3 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1cdn h PRO 3 CO 0.61 0.20 -0.00 0.93 -0.21 0.00 0.00 178.00 179.53 1cdn h GLU 4 N 0.31 0.02 -0.58 1.05 3.07 -1.99 0.25 114.58 116.71 1cdn h GLU 4 Ca 0.68 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.51 1cdn h GLU 4 Cb 1.49 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.37 1cdn h GLU 4 CO -0.61 0.01 0.26 0.93 -1.40 0.00 0.00 179.01 178.20 1cdn h GLU 5 N 0.02 0.84 -0.66 2.33 4.39 -1.41 0.28 114.58 120.38 1cdn h GLU 5 Ca 0.03 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1cdn h GLU 5 Cb 0.03 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1cdn h GLU 5 CO -0.05 0.70 0.42 -0.07 -1.16 0.00 0.00 179.01 178.84 1cdn h LEU 6 N 0.79 0.77 -0.35 1.33 3.38 -0.59 0.91 115.31 121.54 1cdn h LEU 6 Ca 0.20 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1cdn h LEU 6 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1cdn h LEU 6 CO -0.02 0.58 0.08 0.50 0.09 0.00 0.00 178.44 179.67 1cdn h LYS 7 N 0.90 0.57 -0.21 1.13 3.64 0.25 0.23 116.57 123.08 1cdn h LYS 7 Ca 0.24 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1cdn h LYS 7 Cb -0.07 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 1cdn h LYS 7 CO -0.05 0.62 -0.19 0.78 -2.27 0.00 0.00 179.45 178.34 1cdn h GLY 8 N 0.42 -0.09 0.43 5.01 0.00 0.09 0.19 103.07 109.12 1cdn h GLY 8 Ca 0.11 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1cdn h GLY 8 CO 0.00 -0.18 -0.44 -2.22 0.00 0.00 0.00 176.54 173.70 1cdn h ILE 9 N -0.21 0.12 -0.66 2.60 1.08 -0.81 0.62 117.51 120.26 1cdn h ILE 9 Ca 0.12 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.72 1cdn h ILE 9 Cb 0.39 0.12 -0.13 0.00 -3.07 0.00 0.00 36.82 34.14 1cdn h ILE 9 CO -0.33 0.00 -0.22 0.15 -0.69 0.00 0.00 178.15 177.06 1cdn h PHE 10 N -0.80 -0.52 -0.00 1.37 3.04 0.11 -1.16 116.94 118.97 1cdn h PHE 10 Ca -0.02 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1cdn h PHE 10 Cb 0.75 0.33 -0.00 0.00 2.56 0.00 0.00 35.95 39.59 1cdn h PHE 10 CO -0.30 -0.32 0.00 0.93 -2.02 0.00 0.00 178.31 176.60 1cdn h GLU 11 N -0.05 0.01 -0.86 1.11 5.08 -0.36 0.26 114.58 119.78 1cdn h GLU 11 Ca 0.31 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.83 1cdn h GLU 11 Cb 0.52 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.61 1cdn h GLU 11 CO -0.70 0.18 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.00 1cdn h LYS 12 N -0.16 -0.02 0.01 2.33 3.64 0.27 0.44 116.57 123.08 1cdn h LYS 12 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cdn h LYS 12 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1cdn h LYS 12 CO -0.00 -0.01 -0.00 1.88 -2.27 0.00 0.00 179.45 179.04 1cdn h TYR 13 N -0.02 -0.01 -0.17 1.91 0.05 -1.12 -3.37 116.97 114.24 1cdn h TYR 13 Ca 0.38 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.21 1cdn h TYR 13 Cb 0.62 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1cdn h TYR 13 CO -0.71 0.81 0.19 0.00 -1.05 0.00 0.00 178.16 177.41 1cdn h ALA 14 N -0.08 1.79 0.00 3.88 0.00 0.01 -0.27 119.26 124.59 1cdn h ALA 14 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cdn h ALA 14 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cdn h ALA 14 CO 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 179.25 178.86 1cdn n ALA 15 N -2.33 2.41 0.36 0.00 0.00 0.10 -2.90 120.51 118.15 1cdn n ALA 15 Ca 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1cdn n ALA 15 Cb 0.31 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1cdn n ALA 15 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1cdn h LYS 16 N 0.00 -0.88 -1.49 0.00 1.57 -1.21 -3.42 116.57 111.14 1cdn h LYS 16 Ca 0.00 0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1cdn h LYS 16 Cb 0.72 0.20 -0.26 0.00 0.08 0.00 0.00 32.23 32.97 1cdn h LYS 16 CO 0.00 -0.56 -0.46 -1.83 -0.57 0.00 0.00 179.45 176.04 1cdn s GLU 17 N -5.44 0.45 0.00 3.15 1.03 -1.26 -5.10 118.70 111.54 1cdn s GLU 17 Ca -0.16 0.42 0.00 0.00 0.03 0.00 0.00 54.97 55.25 1cdn s GLU 17 Cb 0.02 -0.10 0.00 0.00 -0.80 0.00 0.00 34.13 33.25 1cdn s GLU 17 CO 0.55 -0.91 0.00 0.41 -1.33 0.00 0.00 175.26 173.98 1cdn n GLY 18 N 5.38 -0.43 3.49 -3.83 0.00 -1.24 -4.43 105.19 104.12 1cdn n GLY 18 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 3.93 0.62 1.61 -1.08 -0.99 -4.85 116.67 111.91 1cdn s ASP 19 Ca 0.00 -0.43 0.27 0.00 -0.52 0.00 0.00 52.55 51.86 1cdn s ASP 19 Cb 0.00 -0.65 1.34 0.00 -1.46 0.00 0.00 42.92 42.15 1cdn s ASP 19 CO 0.00 0.23 1.76 1.55 0.52 0.00 0.00 175.17 179.23 1cdn h PRO 20 N 4.26 0.00 -0.02 4.34 0.13 -1.89 0.14 132.00 138.96 1cdn h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cdn h PRO 20 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1cdn h PRO 20 CO 0.48 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.16 1cdn n ASN 21 N -3.32 2.46 -3.61 1.44 3.02 -1.26 -4.25 115.26 109.74 1cdn n ASN 21 Ca 0.07 -1.74 -0.16 0.00 -0.03 0.00 0.00 54.58 52.71 1cdn n ASN 21 Cb 0.72 0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 39.93 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 -2.20 0.12 -0.13 3.52 2.00 0.51 -1.93 119.66 121.55 1cdn s GLN 22 Ca 0.25 0.52 -0.18 0.00 -2.00 0.00 0.00 55.36 53.94 1cdn s GLN 22 Cb 0.19 -0.48 -0.04 0.00 0.80 0.00 0.00 33.01 33.48 1cdn s GLN 22 CO 0.41 -0.41 0.49 -0.51 -0.50 0.00 0.00 175.29 174.77 1cdn s LEU 23 N 2.35 4.25 0.78 3.68 1.43 0.50 -2.35 118.68 129.32 1cdn s LEU 23 Ca 0.04 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1cdn s LEU 23 Cb -0.13 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.44 1cdn s LEU 23 CO -0.09 -0.04 1.14 -0.94 0.23 0.00 0.00 176.35 176.66 1cdn s SER 24 N 0.73 4.78 0.17 2.29 1.04 -1.26 -1.57 113.70 119.89 1cdn s SER 24 Ca 0.26 0.95 -0.14 0.00 0.48 0.00 0.00 55.95 57.49 1cdn s SER 24 Cb -0.15 -1.57 0.13 0.00 0.10 0.00 0.00 66.02 64.53 1cdn s SER 24 CO 0.10 -1.75 1.73 0.11 0.98 0.00 0.00 173.24 174.41 1cdn h LYS 25 N -0.94 0.23 -0.55 4.02 1.57 -1.92 -0.36 116.57 118.62 1cdn h LYS 25 Ca -0.46 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1cdn h LYS 25 Cb 1.30 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1cdn h LYS 25 CO 0.65 0.15 0.31 1.49 -0.57 0.00 0.00 179.45 181.47 1cdn h GLU 26 N 0.23 0.76 -0.14 3.15 4.81 -1.94 0.25 114.58 121.70 1cdn h GLU 26 Ca 0.21 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1cdn h GLU 26 Cb 0.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1cdn h GLU 26 CO -0.27 0.57 0.08 0.93 -0.73 0.00 0.00 179.01 179.59 1cdn h GLU 27 N 0.73 0.16 -0.83 1.92 5.08 -1.76 0.66 114.58 120.55 1cdn h GLU 27 Ca 0.19 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 1cdn h GLU 27 Cb 0.03 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1cdn h GLU 27 CO -0.03 0.10 0.45 -0.07 -1.00 0.00 0.00 179.01 178.47 1cdn h LEU 28 N 0.16 0.62 0.01 1.33 3.38 -0.64 0.12 115.31 120.29 1cdn h LEU 28 Ca 0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1cdn h LEU 28 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1cdn h LEU 28 CO -0.03 0.32 -0.00 0.50 0.09 0.00 0.00 178.44 179.32 1cdn h LYS 29 N 0.73 -0.01 -0.46 1.13 3.64 0.61 0.26 116.57 122.46 1cdn h LYS 29 Ca 0.42 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1cdn h LYS 29 Cb 0.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1cdn h LYS 29 CO -0.29 0.11 0.31 -0.07 -2.27 0.00 0.00 179.45 177.24 1cdn h LEU 30 N -0.13 0.53 0.15 5.20 3.38 -0.65 0.15 115.31 123.94 1cdn h LEU 30 Ca -0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1cdn h LEU 30 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1cdn h LEU 30 CO 0.00 0.38 -0.38 0.25 0.09 0.00 0.00 178.44 178.79 1cdn h LEU 31 N 0.62 -1.10 -0.13 1.67 6.46 -0.55 -0.82 115.31 121.47 1cdn h LEU 31 Ca 0.17 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 58.09 1cdn h LEU 31 Cb -0.07 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 1cdn h LEU 31 CO -0.04 -0.47 -0.10 -0.07 -0.62 0.00 0.00 178.44 177.14 1cdn h LEU 32 N -0.63 -0.33 -0.30 2.25 3.38 -0.13 0.91 115.31 120.46 1cdn h LEU 32 Ca 0.02 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1cdn h LEU 32 Cb 0.65 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1cdn h LEU 32 CO -0.20 -0.14 -0.32 1.56 0.09 0.00 0.00 178.44 179.43 1cdn h GLN 33 N -0.12 -0.29 -0.04 1.13 4.20 -0.50 0.30 115.11 119.79 1cdn h GLN 33 Ca 0.08 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1cdn h GLN 33 Cb 0.24 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1cdn h GLN 33 CO -0.20 -0.19 -0.07 1.15 -0.67 0.00 0.00 178.83 178.85 1cdn h THR 34 N -0.30 1.41 0.02 -0.54 2.02 -0.61 -3.37 112.91 111.54 1cdn h THR 34 Ca 0.14 -1.31 -0.38 0.00 0.77 0.00 0.00 66.41 65.64 1cdn h THR 34 Cb 0.54 2.18 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 1cdn h THR 34 CO -0.47 0.36 -2.32 -0.62 0.37 0.00 0.00 175.52 172.84 1cdn n GLU 35 N -4.72 0.68 -3.19 6.66 -0.58 0.26 -4.81 120.64 114.94 1cdn n GLU 35 Ca -0.08 0.15 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 1cdn n GLU 35 Cb 0.32 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.56 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 -3.18 -0.09 0.27 -0.32 3.72 0.10 -4.95 117.46 113.00 1cdn n PHE 36 Ca -0.39 -3.68 0.11 0.00 -0.05 0.00 0.00 57.45 53.44 1cdn n PHE 36 Cb 1.04 -0.38 0.72 0.00 -0.94 0.00 0.00 39.48 39.92 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 3.57 0.00 -0.03 -1.08 0.13 -1.56 0.11 132.00 133.13 1cdn h PRO 37 Ca 0.08 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1cdn h PRO 37 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1cdn h PRO 37 CO 0.48 0.05 -0.18 0.66 -0.23 0.00 0.00 178.00 178.78 1cdn h SER 38 N 0.00 -0.53 0.69 1.44 4.64 -1.92 -0.87 113.55 117.00 1cdn h SER 38 Ca -0.00 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 1cdn h SER 38 Cb 0.11 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1cdn h SER 38 CO 0.01 -0.24 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.05 1cdn h LEU 39 N -0.28 0.00 -0.17 5.97 3.38 -1.51 0.69 115.31 123.40 1cdn h LEU 39 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1cdn h LEU 39 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1cdn h LEU 39 CO -0.19 0.61 -0.09 0.25 0.09 0.00 0.00 178.44 179.10 1cdn h LEU 40 N 0.00 -0.31 0.92 1.67 5.85 -0.44 -2.87 115.31 120.14 1cdn h LEU 40 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1cdn h LEU 40 Cb 1.12 0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1cdn h LEU 40 CO 0.08 -0.13 -0.46 0.11 -0.34 0.00 0.00 178.44 177.70 1cdn h LYS 41 N -0.08 -1.22 0.00 1.25 1.79 -0.97 -3.45 116.57 113.90 1cdn h LYS 41 Ca 0.10 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1cdn h LYS 41 Cb 0.23 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1cdn h LYS 41 CO -0.22 -0.81 0.00 0.41 -1.08 0.00 0.00 179.45 177.75 1cdn n GLY 42 N -1.63 0.81 0.00 3.86 0.00 0.22 -4.58 105.19 103.86 1cdn n GLY 42 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.40 3.77 -0.02 0.00 -1.26 -5.00 105.19 105.08 1cdn n GLY 43 Ca 0.00 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1cdn n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cdn s SER 44 N -2.89 6.41 0.85 1.61 0.01 -1.26 -4.99 113.70 113.43 1cdn s SER 44 Ca 0.00 2.82 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 1cdn s SER 44 Cb 0.00 -2.65 0.10 0.00 0.21 0.00 0.00 66.02 63.68 1cdn s SER 44 CO 0.00 -0.80 1.16 0.42 0.41 0.00 0.00 173.24 174.43 1cdn s THR 45 N -1.17 2.07 0.30 1.44 -4.23 -1.26 -4.65 115.64 108.14 1cdn s THR 45 Ca 0.54 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1cdn s THR 45 Cb -0.42 -2.91 0.36 0.00 1.34 0.00 0.00 72.50 70.87 1cdn s THR 45 CO 0.56 -0.03 1.60 0.25 -0.54 0.00 0.00 174.62 176.46 1cdn h LEU 46 N -1.24 -0.27 0.02 4.79 5.85 -1.92 0.83 115.31 123.36 1cdn h LEU 46 Ca -0.48 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1cdn h LEU 46 Cb 1.33 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1cdn h LEU 46 CO 0.64 -0.28 -0.08 0.44 -0.34 0.00 0.00 178.44 178.82 1cdn h ASP 47 N 0.08 -0.23 -0.30 1.25 5.19 -1.99 0.29 116.42 120.71 1cdn h ASP 47 Ca 0.58 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 1cdn h ASP 47 Cb 1.20 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 1cdn h ASP 47 CO -0.80 -0.12 0.19 -0.33 -3.12 0.00 0.00 179.24 175.06 1cdn h GLU 48 N -0.15 0.40 -0.49 3.56 3.07 -1.26 -0.76 114.58 118.95 1cdn h GLU 48 Ca 0.03 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1cdn h GLU 48 Cb 0.18 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1cdn h GLU 48 CO -0.07 0.29 0.22 -0.07 -1.40 0.00 0.00 179.01 177.98 1cdn h LEU 49 N 0.40 0.30 0.03 1.33 3.38 -0.72 0.82 115.31 120.84 1cdn h LEU 49 Ca 0.11 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1cdn h LEU 49 Cb -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1cdn h LEU 49 CO -0.02 0.21 -0.12 0.15 0.09 0.00 0.00 178.44 178.74 1cdn h PHE 50 N 0.44 -0.31 -0.29 1.13 3.57 -0.01 0.17 116.94 121.64 1cdn h PHE 50 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1cdn h PHE 50 Cb 0.16 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1cdn h PHE 50 CO -0.12 -0.19 0.09 0.93 -2.23 0.00 0.00 178.31 176.80 1cdn h GLU 51 N -0.22 0.21 -0.67 1.11 4.39 -0.80 0.12 114.58 118.72 1cdn h GLU 51 Ca 0.04 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1cdn h GLU 51 Cb 0.26 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1cdn h GLU 51 CO -0.10 0.14 0.33 1.49 -1.16 0.00 0.00 179.01 179.71 1cdn h GLU 52 N 0.21 0.57 -0.14 2.33 4.57 -0.34 -2.63 114.58 119.16 1cdn h GLU 52 Ca 0.13 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1cdn h GLU 52 Cb 0.11 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1cdn h GLU 52 CO -0.14 0.38 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.88 1cdn h LEU 53 N 0.59 0.34 -5.50 1.64 3.38 -0.26 -3.32 115.31 112.17 1cdn h LEU 53 Ca 0.32 -0.46 -0.56 0.00 0.09 0.00 0.00 57.88 57.27 1cdn h LEU 53 Cb 0.30 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1cdn h LEU 53 CO -0.24 0.73 3.09 -0.67 0.09 0.00 0.00 178.44 181.44 1cdn n ASP 54 N -4.60 5.83 -0.24 -0.43 2.03 0.40 -4.30 116.55 115.23 1cdn n ASP 54 Ca -0.06 -2.53 0.04 0.00 0.52 0.00 0.00 54.79 52.75 1cdn n ASP 54 Cb 0.33 -1.34 0.13 0.00 -0.72 0.00 0.00 41.12 39.53 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 6.01 0.09 0.00 -0.67 1.79 -1.67 0.11 116.57 122.23 1cdn h LYS 55 Ca 0.63 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.10 1cdn h LYS 55 Cb 0.34 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1cdn h LYS 55 CO 1.70 0.06 0.00 0.27 -1.08 0.00 0.00 179.45 180.40 1cdn n ASN 56 N -5.35 0.00 -3.14 0.86 2.04 -1.26 -4.92 115.26 103.50 1cdn n ASN 56 Ca 0.12 -0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 54.04 1cdn n ASN 56 Cb 0.43 -0.31 0.06 0.00 -2.53 0.00 0.00 39.78 37.43 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 0.77 -0.45 0.16 4.83 0.00 0.39 -4.90 105.19 105.99 1cdn n GLY 57 Ca 0.11 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1cdn n GLY 57 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cdn h ASP 58 N -1.97 0.00 0.00 1.61 3.04 -1.91 -3.47 116.42 113.71 1cdn h ASP 58 Ca -0.52 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1cdn h ASP 58 Cb 1.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1cdn h ASP 58 CO 0.53 0.46 0.00 0.61 -2.04 0.00 0.00 179.24 178.80 1cdn n GLY 59 N 0.92 1.76 3.34 7.15 0.00 -1.26 -5.10 105.19 111.99 1cdn n GLY 59 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1cdn n GLY 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cdn s GLU 60 N 0.00 0.79 -0.14 1.61 -1.05 -1.26 -4.96 118.70 113.70 1cdn s GLU 60 Ca 0.00 -0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.51 1cdn s GLU 60 Cb 0.00 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 1cdn s GLU 60 CO 0.00 -0.23 1.15 0.08 0.95 0.00 0.00 175.26 177.21 1cdn s VAL 61 N -1.23 4.45 0.49 1.83 1.01 -0.61 -4.77 120.40 121.59 1cdn s VAL 61 Ca -0.12 1.76 -0.19 0.00 0.00 0.00 0.00 61.98 63.43 1cdn s VAL 61 Cb -0.03 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1cdn s VAL 61 CO 0.06 -0.08 1.00 -0.44 0.00 0.00 0.00 175.10 175.64 1cdn s SER 62 N 1.50 6.53 0.50 3.32 0.01 -1.26 -0.37 113.70 123.93 1cdn s SER 62 Ca 0.51 1.73 0.24 0.00 1.31 0.00 0.00 55.95 59.74 1cdn s SER 62 Cb -0.20 -2.53 1.32 0.00 0.21 0.00 0.00 66.02 64.81 1cdn s SER 62 CO 0.15 -0.65 1.95 0.15 0.41 0.00 0.00 173.24 175.26 1cdn h PHE 63 N 1.30 0.14 0.38 2.43 3.57 -1.78 0.13 116.94 123.10 1cdn h PHE 63 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 1cdn h PHE 63 Cb 1.20 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1cdn h PHE 63 CO 0.61 0.05 -0.18 0.93 -2.23 0.00 0.00 178.31 177.49 1cdn h GLU 64 N 0.12 -0.49 0.00 1.11 3.07 -1.93 -3.22 114.58 113.24 1cdn h GLU 64 Ca 0.32 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1cdn h GLU 64 Cb 1.11 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1cdn h GLU 64 CO -0.04 -0.32 -0.10 1.05 -1.40 0.00 0.00 179.01 178.20 1cdn h GLU 65 N -0.78 0.00 -0.75 2.33 4.11 -1.80 -0.12 114.58 117.56 1cdn h GLU 65 Ca -0.05 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.60 1cdn h GLU 65 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1cdn h GLU 65 CO 0.08 0.10 0.67 0.35 0.07 0.00 0.00 179.01 180.27 1cdn h PHE 66 N 0.00 0.00 -0.10 2.06 3.57 -0.79 0.47 116.94 122.16 1cdn h PHE 66 Ca -0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1cdn h PHE 66 Cb 0.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1cdn h PHE 66 CO 0.00 0.00 0.25 1.96 -2.23 0.00 0.00 178.31 178.29 1cdn h GLN 67 N 0.00 0.00 -0.62 1.11 1.08 -1.02 0.24 115.11 115.91 1cdn h GLN 67 Ca 0.36 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.74 1cdn h GLN 67 Cb 1.68 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.09 1cdn h GLN 67 CO -0.00 0.00 0.47 0.28 -0.95 0.00 0.00 178.83 178.63 1cdn h VAL 68 N 0.00 0.61 -0.25 -0.54 2.07 -1.11 0.10 116.25 117.13 1cdn h VAL 68 Ca 0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 1cdn h VAL 68 Cb 0.55 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1cdn h VAL 68 CO -0.00 0.00 -0.40 0.25 0.02 0.00 0.00 177.57 177.44 1cdn h LEU 69 N 0.00 0.79 -0.86 2.57 5.85 -0.72 -0.90 115.31 122.04 1cdn h LEU 69 Ca 0.29 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1cdn h LEU 69 Cb 1.24 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1cdn h LEU 69 CO -0.00 1.16 0.39 0.58 -0.34 0.00 0.00 178.44 180.22 1cdn h VAL 70 N 0.45 1.26 -0.20 1.05 2.07 -0.97 0.19 116.25 120.10 1cdn h VAL 70 Ca 0.02 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1cdn h VAL 70 Cb 1.00 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1cdn h VAL 70 CO 0.09 0.32 -0.17 0.50 0.02 0.00 0.00 177.57 178.33 1cdn h LYS 71 N 1.19 -0.18 -0.81 1.57 3.64 -0.82 0.12 116.57 121.29 1cdn h LYS 71 Ca 0.28 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1cdn h LYS 71 Cb 0.14 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1cdn h LYS 71 CO -0.03 -0.12 0.47 0.87 -2.27 0.00 0.00 179.45 178.37 1cdn h LYS 72 N -0.18 0.78 0.84 1.90 6.56 -0.09 0.70 116.57 127.08 1cdn h LYS 72 Ca 0.12 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.62 1cdn h LYS 72 Cb 0.36 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1cdn h LYS 72 CO -0.31 0.52 -0.43 0.82 -2.06 0.00 0.00 179.45 178.00 1cdn h ILE 73 N 0.80 0.13 -0.20 1.86 2.04 0.01 -3.44 117.51 118.73 1cdn h ILE 73 Ca 0.38 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.13 1cdn h ILE 73 Cb 0.31 0.13 -0.14 0.00 -0.74 0.00 0.00 36.82 36.38 1cdn h ILE 73 CO -0.23 0.00 -0.28 -1.20 0.00 0.00 0.00 178.15 176.45 1cdn n SER 74 N -5.59 -2.20 0.00 1.72 7.64 0.35 -5.09 113.62 110.43 1cdn n SER 74 Ca -0.15 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1cdn n SER 74 Cb 0.47 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 1cdn n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70