#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1o h SER 2 N 0.00 -0.07 -0.52 3.14 0.02 -1.98 0.50 113.55 114.64 1d1o h SER 2 Ca 0.00 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1d1o h SER 2 Cb 0.00 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.59 1d1o h SER 2 CO 0.00 0.00 0.04 -0.65 -1.14 0.00 0.00 176.83 175.08 1d1o h PRO 3 N 0.17 0.15 -0.22 3.45 0.11 -1.98 0.16 132.00 133.85 1d1o h PRO 3 Ca 0.21 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1d1o h PRO 3 Cb 0.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1d1o h PRO 3 CO -0.31 0.10 0.02 0.93 -0.21 0.00 0.00 178.00 178.53 1d1o h GLU 4 N 0.16 0.38 -0.20 1.05 3.07 -1.76 0.14 114.58 117.42 1d1o h GLU 4 Ca 0.27 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1d1o h GLU 4 Cb 0.40 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1d1o h GLU 4 CO -0.41 0.54 0.04 1.49 -1.40 0.00 0.00 179.01 179.28 1d1o h GLU 5 N 0.16 0.12 -0.15 2.33 4.57 -0.48 0.35 114.58 121.47 1d1o h GLU 5 Ca 0.06 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1d1o h GLU 5 Cb 0.36 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1d1o h GLU 5 CO 0.01 0.08 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.52 1d1o h LEU 6 N 0.12 0.31 0.03 1.64 4.07 -0.54 0.61 115.31 121.55 1d1o h LEU 6 Ca 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1d1o h LEU 6 Cb 0.08 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1d1o h LEU 6 CO -0.12 0.63 -0.01 0.50 -1.08 0.00 0.00 178.44 178.36 1d1o h LYS 7 N 0.27 -0.04 0.19 1.13 3.64 -0.29 0.16 116.57 121.64 1d1o h LYS 7 Ca 0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1d1o h LYS 7 Cb 0.71 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1d1o h LYS 7 CO 0.05 -0.01 -0.38 0.78 -2.27 0.00 0.00 179.45 177.62 1d1o h GLY 8 N -0.05 -0.81 -0.29 5.01 0.00 -0.18 0.94 103.07 107.69 1d1o h GLY 8 Ca -0.00 0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1d1o h GLY 8 CO 0.01 -0.28 -0.29 -2.22 0.00 0.00 0.00 176.54 173.76 1d1o h ILE 9 N -0.67 0.00 -0.77 2.60 2.04 -0.90 0.03 117.51 119.84 1d1o h ILE 9 Ca 0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.99 1d1o h ILE 9 Cb 0.66 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 1d1o h ILE 9 CO -0.18 0.00 -0.37 0.15 0.00 0.00 0.00 178.15 177.75 1d1o h PHE 10 N -0.14 -1.03 0.30 1.37 3.57 -0.37 -0.47 116.94 120.15 1d1o h PHE 10 Ca 0.05 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1d1o h PHE 10 Cb 0.27 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1d1o h PHE 10 CO -0.76 -0.39 -0.18 1.49 -2.23 0.00 0.00 178.31 176.24 1d1o h GLU 11 N -0.09 -0.44 -0.25 1.11 4.81 -0.27 0.16 114.58 119.60 1d1o h GLU 11 Ca 0.28 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1d1o h GLU 11 Cb 0.57 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1d1o h GLU 11 CO -0.82 -0.29 -0.04 1.57 -0.73 0.00 0.00 179.01 178.70 1d1o h LYS 12 N -0.46 0.38 0.68 1.92 2.10 -0.11 0.73 116.57 121.81 1d1o h LYS 12 Ca -0.03 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1d1o h LYS 12 Cb 0.38 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1d1o h LYS 12 CO 0.03 0.44 -0.33 1.88 -2.00 0.00 0.00 179.45 179.47 1d1o h TYR 13 N 0.37 -0.85 -0.98 0.07 0.05 -0.89 -3.29 116.97 111.45 1d1o h TYR 13 Ca 0.08 -0.02 0.32 0.00 0.05 0.00 0.00 58.73 59.16 1d1o h TYR 13 Cb 0.31 0.28 -0.15 0.00 1.01 0.00 0.00 36.73 38.17 1d1o h TYR 13 CO 0.01 -0.53 0.49 0.00 -1.05 0.00 0.00 178.16 177.08 1d1o h ALA 14 N -1.31 1.85 -1.28 3.88 0.00 -0.41 -0.27 119.26 121.71 1d1o h ALA 14 Ca -0.09 0.22 0.42 0.00 0.00 0.00 0.00 54.91 55.45 1d1o h ALA 14 Cb 0.70 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 1d1o h ALA 14 CO 0.15 -0.62 0.82 0.00 0.00 0.00 0.00 179.25 179.61 1d1o h ALA 15 N 1.87 2.66 0.00 0.00 0.00 -0.30 0.31 119.26 123.80 1d1o h ALA 15 Ca 0.72 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.63 1d1o h ALA 15 Cb 1.66 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1d1o h ALA 15 CO -0.66 -1.28 -0.53 0.87 0.00 0.00 0.00 179.25 177.66 1d1o h LYS 16 N 0.11 0.00 -7.26 0.00 6.56 -1.21 -3.43 116.57 111.35 1d1o h LYS 16 Ca 0.80 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.88 1d1o h LYS 16 Cb 2.46 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 34.25 1d1o h LYS 16 CO -0.42 0.53 0.34 -2.00 -2.06 0.00 0.00 179.45 175.83 1d1o s GLU 17 N -3.42 2.34 0.23 3.15 2.56 0.11 -4.94 118.70 118.73 1d1o s GLU 17 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 54.97 56.20 1d1o s GLU 17 Cb 0.11 -1.90 0.31 0.00 2.00 0.00 0.00 34.13 34.66 1d1o s GLU 17 CO 0.73 -1.60 1.62 0.78 -0.56 0.00 0.00 175.26 176.23 1d1o h GLY 18 N -0.69 0.59 -7.05 -1.50 0.00 -1.89 -3.26 103.07 89.28 1d1o h GLY 18 Ca -0.45 0.19 -0.63 0.00 0.00 0.00 0.00 47.33 46.44 1d1o h GLY 18 CO 0.51 -0.27 -0.08 -0.35 0.00 0.00 0.00 176.54 176.36 1d1o s ASP 19 N -5.22 6.35 0.00 0.19 -1.08 -1.26 -4.98 116.67 110.66 1d1o s ASP 19 Ca -0.14 0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.31 1d1o s ASP 19 Cb 0.21 -2.26 0.99 0.00 -1.46 0.00 0.00 42.92 40.40 1d1o s ASP 19 CO 0.74 -0.34 1.41 -0.81 0.52 0.00 0.00 175.17 176.69 1d1o n PRO 20 N 5.57 0.60 -1.36 4.34 -0.04 -1.23 -2.08 135.00 140.79 1d1o n PRO 20 Ca -0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 1d1o n PRO 20 Cb 0.50 -1.43 0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1d1o n PRO 20 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1d1o n ASN 21 N -0.93 2.40 -3.85 3.54 2.04 -1.26 -2.10 115.26 115.09 1d1o n ASN 21 Ca 0.12 -3.32 -0.12 0.00 -0.44 0.00 0.00 54.58 50.83 1d1o n ASN 21 Cb 0.06 -0.43 -0.10 0.00 -2.53 0.00 0.00 39.78 36.78 1d1o n ASN 21 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 1d1o s GLN 22 N -2.80 0.52 -0.31 -3.83 0.74 -0.88 -4.11 119.66 108.99 1d1o s GLN 22 Ca 0.39 -0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.45 1d1o s GLN 22 Cb 0.38 0.22 0.06 0.00 1.10 0.00 0.00 33.01 34.77 1d1o s GLN 22 CO -0.06 -0.13 0.01 -0.51 -0.55 0.00 0.00 175.29 174.05 1d1o s LEU 23 N -1.37 4.07 0.87 3.68 1.43 0.17 -4.39 118.68 123.13 1d1o s LEU 23 Ca -0.14 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 51.37 1d1o s LEU 23 Cb -0.07 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.57 1d1o s LEU 23 CO 0.02 -0.30 1.10 -0.55 0.23 0.00 0.00 176.35 176.86 1d1o s SER 24 N 1.27 3.83 0.30 2.29 0.15 -1.26 -0.42 113.70 119.86 1d1o s SER 24 Ca -0.03 1.30 0.04 0.00 0.70 0.00 0.00 55.95 57.96 1d1o s SER 24 Cb -0.20 -1.98 0.79 0.00 -1.71 0.00 0.00 66.02 62.91 1d1o s SER 24 CO -0.03 -2.39 1.47 0.29 1.20 0.00 0.00 173.24 173.79 1d1o n LYS 25 N -3.70 -0.07 -0.03 5.44 5.02 -1.26 0.27 118.16 123.83 1d1o n LYS 25 Ca 0.07 1.39 -0.10 0.00 -2.02 0.00 0.00 58.31 57.65 1d1o n LYS 25 Cb 0.56 -2.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.29 1d1o n LYS 25 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1d1o h GLU 26 N 0.00 0.19 -0.34 1.97 4.81 -1.94 0.20 114.58 119.46 1d1o h GLU 26 Ca 0.60 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.67 1d1o h GLU 26 Cb 1.29 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1d1o h GLU 26 CO -0.86 0.12 -0.37 1.49 -0.73 0.00 0.00 179.01 178.66 1d1o h GLU 27 N 0.19 0.85 -0.24 1.92 4.57 -0.51 0.42 114.58 121.79 1d1o h GLU 27 Ca 0.07 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1d1o h GLU 27 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1d1o h GLU 27 CO -0.04 1.10 0.16 1.25 -1.18 0.00 0.00 179.01 180.30 1d1o h LEU 28 N 0.64 0.28 -0.16 1.64 7.12 -0.45 -0.21 115.31 124.17 1d1o h LEU 28 Ca 0.05 -0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.05 1d1o h LEU 28 Cb 0.96 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1d1o h LEU 28 CO 0.09 0.22 0.08 0.50 -0.13 0.00 0.00 178.44 179.19 1d1o h LYS 29 N 0.32 0.16 0.16 1.25 3.64 -0.51 -0.64 116.57 120.96 1d1o h LYS 29 Ca 0.09 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1d1o h LYS 29 Cb -0.02 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1d1o h LYS 29 CO -0.02 0.11 -0.47 1.25 -2.27 0.00 0.00 179.45 178.05 1d1o h LEU 30 N 0.17 -1.39 -0.60 5.20 5.85 -0.27 0.22 115.31 124.49 1d1o h LEU 30 Ca 0.07 0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 1d1o h LEU 30 Cb 0.02 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1d1o h LEU 30 CO -0.05 -0.54 -0.60 0.17 -0.34 0.00 0.00 178.44 177.09 1d1o h LEU 31 N -0.73 0.38 -0.50 2.25 -0.00 -1.04 -0.81 115.31 114.86 1d1o h LEU 31 Ca 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 57.61 1d1o h LEU 31 Cb 0.73 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 1d1o h LEU 31 CO -0.24 0.89 0.09 -0.07 -0.00 0.00 0.00 178.44 179.11 1d1o h LEU 32 N 0.25 0.78 0.13 0.17 4.07 -0.94 0.21 115.31 119.98 1d1o h LEU 32 Ca -0.00 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1d1o h LEU 32 Cb 1.11 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 1d1o h LEU 32 CO 0.10 0.84 -0.22 1.56 -1.08 0.00 0.00 178.44 179.63 1d1o h GLN 33 N 0.70 -0.41 0.12 1.13 4.20 -0.82 0.26 115.11 120.29 1d1o h GLN 33 Ca 0.15 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1d1o h GLN 33 Cb 0.38 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1d1o h GLN 33 CO 0.01 -0.27 -0.06 1.15 -0.67 0.00 0.00 178.83 178.99 1d1o h THR 34 N -0.43 0.99 0.24 -0.54 2.02 -0.76 -2.88 112.91 111.56 1d1o h THR 34 Ca 0.02 -0.46 -0.34 0.00 0.77 0.00 0.00 66.41 66.41 1d1o h THR 34 Cb 0.44 1.28 0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1d1o h THR 34 CO -0.11 0.11 -1.53 -0.33 0.37 0.00 0.00 175.52 174.02 1d1o h GLU 35 N -0.38 0.51 -2.13 6.66 4.39 -0.66 -3.41 114.58 119.56 1d1o h GLU 35 Ca -0.02 -0.86 -0.56 0.00 0.34 0.00 0.00 59.36 58.26 1d1o h GLU 35 Cb 0.31 0.32 -0.41 0.00 -0.10 0.00 0.00 28.75 28.87 1d1o h GLU 35 CO 0.03 1.41 -0.88 1.19 -1.16 0.00 0.00 179.01 179.60 1d1o n PHE 36 N -3.70 1.96 -1.26 4.33 3.72 0.90 -5.04 117.46 118.37 1d1o n PHE 36 Ca -0.19 -3.89 -0.41 0.00 -0.05 0.00 0.00 57.45 52.91 1d1o n PHE 36 Cb 1.09 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 39.11 1d1o n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1d1o n PRO 37 N 0.53 1.42 0.00 -1.08 -0.04 -1.09 -3.56 135.00 131.18 1d1o n PRO 37 Ca 0.27 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1d1o n PRO 37 Cb 0.50 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1d1o n PRO 37 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1d1o n SER 38 N 8.77 0.00 -0.28 3.54 3.41 -1.26 -5.02 113.62 122.78 1d1o n SER 38 Ca 0.49 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 59.27 1d1o n SER 38 Cb 0.42 0.15 0.45 0.00 -0.26 0.00 0.00 64.21 64.96 1d1o n SER 38 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1d1o h LEU 39 N 0.00 0.53 -1.98 1.04 8.10 -1.92 0.63 115.31 121.72 1d1o h LEU 39 Ca 0.00 0.06 0.01 0.00 0.11 0.00 0.00 57.88 58.06 1d1o h LEU 39 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.18 1d1o h LEU 39 CO 0.00 0.21 0.04 0.17 -4.11 0.00 0.00 178.44 174.75 1d1o h LEU 40 N 0.53 0.03 0.00 0.17 -0.00 -1.91 -3.46 115.31 110.67 1d1o h LEU 40 Ca 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.38 1d1o h LEU 40 Cb 1.07 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1d1o h LEU 40 CO -0.24 0.02 0.00 2.29 -0.00 0.00 0.00 178.44 180.51 1d1o n LYS 41 N -4.53 0.00 -3.54 0.17 2.85 0.21 -3.99 118.16 109.34 1d1o n LYS 41 Ca -0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1d1o n LYS 41 Cb 0.12 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.48 1d1o n LYS 41 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1d1o s GLY 42 N 0.00 -0.47 0.22 2.58 0.00 -1.26 -5.05 107.32 103.35 1d1o s GLY 42 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 44.72 45.14 1d1o s GLY 42 CO 0.00 0.16 1.83 -0.33 0.00 0.00 0.00 173.10 174.76 1d1o h MET 43 N 2.00 0.79 0.21 2.90 2.86 -1.98 0.21 114.93 121.92 1d1o h MET 43 Ca -0.28 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1d1o h MET 43 Cb 1.27 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1d1o h MET 43 CO 0.33 0.52 -0.50 0.66 1.06 0.00 0.00 176.91 178.98 1d1o h SER 44 N 0.82 -1.45 -0.86 1.22 4.64 -1.97 0.67 113.55 116.61 1d1o h SER 44 Ca 0.33 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.85 1d1o h SER 44 Cb 0.18 0.53 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1d1o h SER 44 CO -0.18 -0.57 0.56 0.74 -0.87 0.00 0.00 176.83 176.52 1d1o h THR 45 N -0.79 1.09 -0.93 2.95 2.02 -1.64 -1.04 112.91 114.57 1d1o h THR 45 Ca -0.01 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1d1o h THR 45 Cb 0.77 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1d1o h THR 45 CO -0.22 0.18 0.60 0.25 0.37 0.00 0.00 175.52 176.70 1d1o h LEU 46 N 1.01 1.01 -0.16 2.58 6.46 0.15 0.19 115.31 126.55 1d1o h LEU 46 Ca 0.36 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.14 1d1o h LEU 46 Cb 0.13 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1d1o h LEU 46 CO -0.12 0.70 -0.03 -0.78 -0.62 0.00 0.00 178.44 177.58 1d1o h ASP 47 N 1.18 -0.13 0.45 1.25 3.58 0.44 0.27 116.42 123.45 1d1o h ASP 47 Ca 0.36 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 1d1o h ASP 47 Cb -0.02 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1d1o h ASP 47 CO -0.11 -0.04 -0.21 -0.33 -2.88 0.00 0.00 179.24 175.66 1d1o h GLU 48 N 0.01 -0.58 -0.40 0.28 4.39 -0.93 -0.28 114.58 117.07 1d1o h GLU 48 Ca 0.08 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.90 1d1o h GLU 48 Cb 0.11 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 1d1o h GLU 48 CO -0.16 -0.32 -0.27 1.25 -1.16 0.00 0.00 179.01 178.36 1d1o h LEU 49 N -0.74 -0.90 -0.41 1.33 5.85 -0.59 -0.20 115.31 119.64 1d1o h LEU 49 Ca -0.06 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1d1o h LEU 49 Cb 0.53 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1d1o h LEU 49 CO 0.10 -0.28 0.15 0.15 -0.34 0.00 0.00 178.44 178.22 1d1o h PHE 50 N -0.20 0.27 -0.60 1.25 3.04 -0.32 0.31 116.94 120.69 1d1o h PHE 50 Ca 0.19 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.22 1d1o h PHE 50 Cb 0.50 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.89 1d1o h PHE 50 CO -0.50 0.10 0.29 1.49 -2.02 0.00 0.00 178.31 177.68 1d1o h GLU 51 N 0.32 0.52 -0.41 1.11 4.81 0.03 0.19 114.58 121.15 1d1o h GLU 51 Ca 0.19 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1d1o h GLU 51 Cb 0.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1d1o h GLU 51 CO -0.19 0.34 -0.19 0.93 -0.73 0.00 0.00 179.01 179.17 1d1o h GLU 52 N 0.54 0.85 0.35 1.92 5.08 -0.12 -3.33 114.58 119.88 1d1o h GLU 52 Ca 0.28 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1d1o h GLU 52 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1d1o h GLU 52 CO -0.21 1.01 -0.17 1.25 -1.00 0.00 0.00 179.01 179.89 1d1o h LEU 53 N 0.67 -0.40 -4.13 1.33 6.46 -0.07 -3.36 115.31 115.81 1d1o h LEU 53 Ca 0.09 -0.15 -0.25 0.00 -0.12 0.00 0.00 57.88 57.45 1d1o h LEU 53 Cb 0.75 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.71 1d1o h LEU 53 CO 0.06 0.03 0.07 -0.67 -0.62 0.00 0.00 178.44 177.31 1d1o n ASP 54 N -5.12 5.66 -0.24 1.25 -0.08 0.63 -4.74 116.55 113.91 1d1o n ASP 54 Ca -0.09 -2.53 0.05 0.00 -1.51 0.00 0.00 54.79 50.71 1d1o n ASP 54 Cb 0.27 -1.42 0.17 0.00 2.34 0.00 0.00 41.12 42.48 1d1o n ASP 54 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1d1o h LYS 55 N 3.20 0.30 0.02 -0.67 1.57 -1.75 0.11 116.57 119.35 1d1o h LYS 55 Ca 0.27 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 1d1o h LYS 55 Cb 1.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1d1o h LYS 55 CO 0.42 0.20 -1.45 0.00 -0.57 0.00 0.00 179.45 178.05 1d1o n ALA 56 N -2.61 0.82 0.03 3.86 0.00 -1.26 -4.53 120.51 116.82 1d1o n ALA 56 Ca 0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1d1o n ALA 56 Cb 0.42 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 19.36 1d1o n ALA 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1d1o h GLY 57 N -0.66 0.55 -6.77 0.00 0.00 -1.74 -3.47 103.07 90.98 1d1o h GLY 57 Ca -0.38 -0.71 -0.44 0.00 0.00 0.00 0.00 47.33 45.80 1d1o h GLY 57 CO -0.17 0.63 -0.70 1.34 0.00 0.00 0.00 176.54 177.64 1d1o n ASP 58 N -3.90 -0.92 0.00 0.19 2.03 0.38 -3.99 116.55 110.34 1d1o n ASP 58 Ca -0.04 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1d1o n ASP 58 Cb 0.66 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1d1o n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d1o n GLY 59 N -1.97 0.26 2.85 0.27 0.00 -1.26 -5.12 105.19 100.22 1d1o n GLY 59 Ca -0.16 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 1d1o n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d1o s GLU 60 N 0.00 0.34 -0.36 1.61 8.01 -1.26 -4.07 118.70 122.97 1d1o s GLU 60 Ca 0.00 0.02 -0.23 0.00 0.01 0.00 0.00 54.97 54.77 1d1o s GLU 60 Cb 0.00 -0.46 0.01 0.00 -4.31 0.00 0.00 34.13 29.37 1d1o s GLU 60 CO 0.00 -0.08 0.76 0.08 0.01 0.00 0.00 175.26 176.03 1d1o s VAL 61 N 0.76 4.76 0.63 2.63 1.01 0.44 -4.41 120.40 126.22 1d1o s VAL 61 Ca -0.08 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 1d1o s VAL 61 Cb -0.11 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1d1o s VAL 61 CO -0.01 -0.42 1.03 -0.44 0.00 0.00 0.00 175.10 175.26 1d1o s SER 62 N 1.84 6.12 0.44 3.32 0.01 -1.26 -0.66 113.70 123.51 1d1o s SER 62 Ca 0.30 1.45 0.19 0.00 1.31 0.00 0.00 55.95 59.20 1d1o s SER 62 Cb -0.13 -2.47 1.13 0.00 0.21 0.00 0.00 66.02 64.75 1d1o s SER 62 CO 0.17 -0.94 1.90 0.15 0.41 0.00 0.00 173.24 174.92 1d1o h PHE 63 N -0.34 0.42 -0.40 2.43 3.57 -1.98 0.28 116.94 120.92 1d1o h PHE 63 Ca -0.44 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.12 1d1o h PHE 63 Cb 1.19 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1d1o h PHE 63 CO 0.65 0.14 0.14 0.93 -2.23 0.00 0.00 178.31 177.94 1d1o h GLU 64 N 0.34 0.29 -0.01 1.11 3.07 -1.94 0.84 114.58 118.27 1d1o h GLU 64 Ca 0.41 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.02 1d1o h GLU 64 Cb 1.07 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1d1o h GLU 64 CO -0.12 0.19 -0.93 0.93 -1.40 0.00 0.00 179.01 177.68 1d1o h GLU 65 N 0.30 0.44 -0.79 2.33 5.08 -0.94 -3.07 114.58 117.92 1d1o h GLU 65 Ca 0.19 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1d1o h GLU 65 Cb 0.18 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1d1o h GLU 65 CO -0.20 1.11 0.50 0.35 -1.00 0.00 0.00 179.01 179.78 1d1o h PHE 66 N 0.25 0.93 -0.57 4.33 3.57 -0.36 0.90 116.94 125.99 1d1o h PHE 66 Ca -0.08 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1d1o h PHE 66 Cb 1.56 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1d1o h PHE 66 CO 0.06 0.53 0.38 1.96 -2.23 0.00 0.00 178.31 179.01 1d1o h GLN 67 N 0.96 0.45 -0.34 1.11 4.20 -0.76 0.25 115.11 120.99 1d1o h GLN 67 Ca 0.32 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 1d1o h GLN 67 Cb 0.03 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1d1o h GLN 67 CO -0.12 0.30 0.14 0.28 -0.67 0.00 0.00 178.83 178.76 1d1o h VAL 68 N 0.47 1.19 -0.70 -0.54 2.07 -0.80 -1.84 116.25 116.09 1d1o h VAL 68 Ca 0.26 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.34 1d1o h VAL 68 Cb 0.40 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1d1o h VAL 68 CO -0.07 0.20 0.23 0.25 0.02 0.00 0.00 177.57 178.20 1d1o h LEU 69 N 0.41 0.15 -1.17 2.57 5.85 0.42 -1.16 115.31 122.38 1d1o h LEU 69 Ca 0.11 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.05 1d1o h LEU 69 Cb 0.19 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1d1o h LEU 69 CO -0.01 0.05 0.59 0.58 -0.34 0.00 0.00 178.44 179.31 1d1o h VAL 70 N 0.36 0.97 -0.38 1.05 2.07 0.11 0.31 116.25 120.74 1d1o h VAL 70 Ca 0.38 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1d1o h VAL 70 Cb 0.58 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1d1o h VAL 70 CO -0.42 0.17 0.26 0.11 0.02 0.00 0.00 177.57 177.71 1d1o h LYS 71 N 0.91 0.35 0.20 1.57 1.79 -0.43 0.17 116.57 121.13 1d1o h LYS 71 Ca 0.42 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.86 1d1o h LYS 71 Cb 0.40 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1d1o h LYS 71 CO -0.18 0.23 -0.09 0.87 -1.08 0.00 0.00 179.45 179.20 1d1o h LYS 72 N 0.36 -0.25 -0.21 3.15 1.57 -0.29 -3.29 116.57 117.61 1d1o h LYS 72 Ca 0.16 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1d1o h LYS 72 Cb 0.18 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1d1o h LYS 72 CO -0.04 0.11 0.16 -0.84 -0.57 0.00 0.00 179.45 178.28 1d1o h ILE 73 N -0.93 0.82 0.00 1.86 3.07 -0.68 -3.45 117.51 118.19 1d1o h ILE 73 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1d1o h ILE 73 Cb 0.48 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1d1o h ILE 73 CO 0.04 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 175.94 1d1o n SER 74 N -4.36 0.00 0.00 2.16 7.64 0.56 -5.08 113.62 114.54 1d1o n SER 74 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1d1o n SER 74 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1d1o n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70