#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y48 s LYS 21 N nan 3.74 0.00 0.00 2.20 -1.26 -4.93 119.74 nan 1y48 s LYS 21 Ca nan -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 nan 1y48 s LYS 21 Cb nan -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 nan 1y48 s LYS 21 CO nan -0.30 0.53 0.25 -0.36 0.00 0.00 175.35 nan 1y48 n THR 22 N 5.08 0.27 -3.97 3.43 -2.24 -1.26 -4.98 114.28 110.61 1y48 n THR 22 Ca -0.13 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1y48 n THR 22 Cb 0.51 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 1y48 n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y48 s GLU 23 N -0.27 0.25 -0.50 -0.78 2.02 -1.26 -1.15 118.70 117.02 1y48 s GLU 23 Ca 0.00 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.64 1y48 s GLU 23 Cb 0.00 -0.00 0.27 0.00 0.10 0.00 0.00 34.13 34.49 1y48 s GLU 23 CO 0.00 -0.01 0.66 0.91 0.02 0.00 0.00 175.26 176.84 1y48 n TRP 24 N 2.11 1.59 0.28 1.61 8.01 0.23 -4.94 117.44 126.33 1y48 n TRP 24 Ca -0.20 -3.85 0.14 0.00 -1.31 0.00 0.00 57.50 52.28 1y48 n TRP 24 Cb 0.57 -0.45 0.80 0.00 -2.01 0.00 0.00 31.31 30.22 1y48 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1y48 h PRO 25 N 3.89 0.00 0.00 -0.99 0.13 -1.94 -1.83 132.00 131.26 1y48 h PRO 25 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1y48 h PRO 25 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1y48 h PRO 25 CO 0.64 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1y48 n GLU 26 N -3.69 0.06 0.02 0.86 0.00 -1.26 -2.36 120.64 114.27 1y48 n GLU 26 Ca -0.02 0.35 0.12 0.00 0.00 0.00 0.00 57.16 57.61 1y48 n GLU 26 Cb 0.18 -1.62 0.29 0.00 0.00 0.00 0.00 31.44 30.29 1y48 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1y48 n LEU 27 N -1.73 0.49 -4.74 -1.84 4.77 -0.69 -4.81 117.00 108.45 1y48 n LEU 27 Ca 0.02 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1y48 n LEU 27 Cb 0.16 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1y48 n LEU 27 CO 0.13 0.05 1.30 0.52 -1.33 0.00 0.00 177.39 178.06 1y48 n VAL 28 N -1.69 0.63 -0.08 4.08 0.31 -1.00 -1.34 118.33 119.24 1y48 n VAL 28 Ca 0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1y48 n VAL 28 Cb 0.37 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1y48 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y48 n GLY 29 N 2.85 2.02 3.91 2.92 0.00 0.60 -4.97 105.19 112.52 1y48 n GLY 29 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1y48 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y48 s LYS 30 N -0.28 2.81 0.57 1.61 -0.14 -0.45 -4.75 119.74 119.11 1y48 s LYS 30 Ca 0.00 0.07 -0.20 0.00 -1.36 0.00 0.00 55.97 54.48 1y48 s LYS 30 Cb 0.00 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1y48 s LYS 30 CO 0.00 -0.85 1.27 -1.54 -0.76 0.00 0.00 175.35 173.47 1y48 s SER 31 N -4.35 5.24 0.37 2.83 1.04 -1.26 -0.30 113.70 117.26 1y48 s SER 31 Ca 0.56 2.55 0.10 0.00 0.48 0.00 0.00 55.95 59.64 1y48 s SER 31 Cb -0.11 -2.62 0.85 0.00 0.10 0.00 0.00 66.02 64.25 1y48 s SER 31 CO 0.47 -1.57 1.88 1.62 0.98 0.00 0.00 173.24 176.61 1y48 h VAL 32 N 1.15 0.83 -0.40 5.02 3.04 -1.40 -1.53 116.25 122.96 1y48 h VAL 32 Ca -0.51 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 1y48 h VAL 32 Cb 1.30 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1y48 h VAL 32 CO 0.56 0.12 0.14 -0.33 -1.01 0.00 0.00 177.57 177.05 1y48 h GLU 33 N 0.65 0.61 -0.38 4.17 3.07 -1.91 -1.37 114.58 119.41 1y48 h GLU 33 Ca 0.44 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 1y48 h GLU 33 Cb 0.74 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1y48 h GLU 33 CO -0.19 0.59 -0.28 1.49 -1.40 0.00 0.00 179.01 179.22 1y48 h GLU 34 N 0.50 0.87 -0.51 2.33 4.81 -1.81 -2.13 114.58 118.63 1y48 h GLU 34 Ca 0.13 -0.42 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1y48 h GLU 34 Cb 0.22 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 1y48 h GLU 34 CO -0.01 1.06 0.06 0.00 -0.73 0.00 0.00 179.01 179.40 1y48 h ALA 35 N 0.79 0.55 -0.54 2.92 0.00 -1.15 -0.16 119.26 121.67 1y48 h ALA 35 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1y48 h ALA 35 Cb 0.85 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1y48 h ALA 35 CO 0.07 -0.34 0.35 0.87 0.00 0.00 0.00 179.25 180.20 1y48 h LYS 36 N 0.19 0.72 -0.07 0.00 1.57 -1.11 -0.05 116.57 117.82 1y48 h LYS 36 Ca 0.26 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1y48 h LYS 36 Cb 0.38 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1y48 h LYS 36 CO -0.38 0.49 0.03 -0.22 -0.57 0.00 0.00 179.45 178.80 1y48 h LYS 37 N 0.73 0.10 -0.10 3.15 3.64 -0.82 -0.90 116.57 122.37 1y48 h LYS 37 Ca 0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1y48 h LYS 37 Cb -0.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1y48 h LYS 37 CO -0.04 0.19 0.06 0.28 -2.27 0.00 0.00 179.45 177.67 1y48 h VAL 38 N -0.01 1.07 -0.82 2.00 2.07 -0.86 -1.80 116.25 117.91 1y48 h VAL 38 Ca 0.02 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1y48 h VAL 38 Cb 0.13 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1y48 h VAL 38 CO -0.00 0.06 0.54 0.40 0.02 0.00 0.00 177.57 178.59 1y48 h ILE 39 N 0.09 1.20 0.00 4.57 2.04 -0.93 -1.61 117.51 122.87 1y48 h ILE 39 Ca 0.04 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1y48 h ILE 39 Cb 0.05 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1y48 h ILE 39 CO -0.01 0.20 -0.12 -0.07 0.00 0.00 0.00 178.15 178.16 1y48 h LEU 40 N 1.10 0.00 -0.34 1.44 3.38 -0.99 0.46 115.31 120.36 1y48 h LEU 40 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1y48 h LEU 40 Cb -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1y48 h LEU 40 CO -0.07 0.12 -0.55 1.56 0.09 0.00 0.00 178.44 179.58 1y48 h GLN 41 N 0.00 0.82 0.02 1.13 4.20 -0.42 -2.74 115.11 118.12 1y48 h GLN 41 Ca -0.00 -0.52 -0.24 0.00 0.06 0.00 0.00 58.65 57.94 1y48 h GLN 41 Cb 0.51 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1y48 h GLN 41 CO 0.02 1.15 -1.23 -0.44 -0.67 0.00 0.00 178.83 177.66 1y48 h ASP 42 N 0.62 0.08 -2.08 1.46 3.32 -0.61 -3.40 116.42 115.81 1y48 h ASP 42 Ca 0.01 -0.10 -0.55 0.00 0.02 0.00 0.00 57.03 56.41 1y48 h ASP 42 Cb 1.15 -0.03 -0.37 0.00 0.22 0.00 0.00 39.33 40.31 1y48 h ASP 42 CO 0.12 1.08 -1.00 1.17 -1.72 0.00 0.00 179.24 178.88 1y48 n LYS 43 N -3.31 0.44 0.26 3.56 4.81 0.15 -4.97 118.16 119.10 1y48 n LYS 43 Ca -0.06 -3.11 0.15 0.00 -0.87 0.00 0.00 58.31 54.42 1y48 n LYS 43 Cb 0.98 -1.46 0.85 0.00 0.02 0.00 0.00 35.03 35.42 1y48 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1y48 h PRO 44 N 4.84 0.00 -0.26 1.64 0.11 -1.68 -0.54 132.00 136.11 1y48 h PRO 44 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1y48 h PRO 44 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1y48 h PRO 44 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 1y48 n ALA 45 N -2.37 2.48 -1.77 -0.75 0.00 -1.26 -4.97 120.51 111.87 1y48 n ALA 45 Ca -0.02 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1y48 n ALA 45 Cb 0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 1y48 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y48 n ALA 46 N 0.37 2.44 -2.72 0.00 0.00 -0.21 -4.96 120.51 115.43 1y48 n ALA 46 Ca 0.13 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.48 1y48 n ALA 46 Cb 0.29 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.23 1y48 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y48 s GLN 47 N -1.76 3.02 -0.18 0.00 -0.21 0.23 -4.96 119.66 115.80 1y48 s GLN 47 Ca 0.55 -1.11 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 1y48 s GLN 47 Cb -0.48 -4.08 -0.05 0.00 1.00 0.00 0.00 33.01 29.41 1y48 s GLN 47 CO 0.61 -1.00 0.23 0.42 -2.12 0.00 0.00 175.29 173.43 1y48 s ILE 48 N 1.93 5.35 -0.03 1.08 1.01 -1.26 -1.57 121.20 127.71 1y48 s ILE 48 Ca 0.08 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.17 1y48 s ILE 48 Cb -0.21 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1y48 s ILE 48 CO 0.09 0.41 -0.15 -0.51 0.00 0.00 0.00 174.94 174.78 1y48 s ILE 49 N 0.43 1.26 -0.21 2.92 2.07 -0.76 -4.98 121.20 121.92 1y48 s ILE 49 Ca 0.13 -0.65 -0.09 0.00 -1.41 0.00 0.00 60.65 58.64 1y48 s ILE 49 Cb -0.12 -1.07 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 1y48 s ILE 49 CO 0.01 0.36 0.10 -0.69 -1.91 0.00 0.00 174.94 172.82 1y48 s VAL 50 N -0.10 4.98 0.14 4.00 1.01 -1.26 -0.10 120.40 129.08 1y48 s VAL 50 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1y48 s VAL 50 Cb -0.09 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1y48 s VAL 50 CO 0.01 0.40 -0.12 -0.76 0.00 0.00 0.00 175.10 174.63 1y48 s LEU 51 N 0.76 2.48 0.17 3.92 1.43 0.71 -4.94 118.68 123.21 1y48 s LEU 51 Ca 0.05 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 1y48 s LEU 51 Cb -0.13 -0.47 -0.08 0.00 0.03 0.00 0.00 46.19 45.54 1y48 s LEU 51 CO 0.02 -0.23 1.24 -2.84 0.23 0.00 0.00 176.35 174.76 1y48 s PRO 52 N -3.25 4.45 0.70 1.29 0.02 -1.26 -0.79 135.00 136.15 1y48 s PRO 52 Ca 0.14 1.92 -0.16 0.00 0.02 0.00 0.00 61.00 62.91 1y48 s PRO 52 Cb -0.01 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.29 1y48 s PRO 52 CO 0.02 -0.17 1.24 0.54 -0.33 0.00 0.00 177.00 178.30 1y48 s VAL 53 N 0.20 2.20 -0.88 3.83 0.11 0.13 -2.96 120.40 123.02 1y48 s VAL 53 Ca 0.55 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1y48 s VAL 53 Cb -0.33 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1y48 s VAL 53 CO 0.36 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1y48 n GLY 54 N 0.60 0.61 3.82 6.54 0.00 -1.26 -4.97 105.19 110.53 1y48 n GLY 54 Ca 0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1y48 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y48 s THR 55 N -2.39 3.13 -0.01 2.61 -4.23 -1.16 -5.13 115.64 108.48 1y48 s THR 55 Ca 0.00 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1y48 s THR 55 Cb 0.00 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1y48 s THR 55 CO 0.00 -0.13 0.16 -0.63 -0.54 0.00 0.00 174.62 173.48 1y48 s ILE 56 N -2.39 5.28 0.09 2.99 -1.09 -1.26 -5.10 121.20 119.72 1y48 s ILE 56 Ca 0.42 -0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1y48 s ILE 56 Cb -0.04 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1y48 s ILE 56 CO 0.26 0.32 -0.02 0.68 -1.23 0.00 0.00 174.94 174.95 1y48 s VAL 57 N -1.30 0.35 0.62 2.92 -7.23 -1.26 -5.14 120.40 109.36 1y48 s VAL 57 Ca 0.27 -1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1y48 s VAL 57 Cb -0.12 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1y48 s VAL 57 CO 0.18 -0.81 1.27 0.42 -0.31 0.00 0.00 175.10 175.84 1y48 s THR 58 N -3.85 2.25 -0.37 5.32 -4.23 -1.26 -4.95 115.64 108.55 1y48 s THR 58 Ca 0.13 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.86 1y48 s THR 58 Cb 0.07 -3.06 0.50 0.00 1.34 0.00 0.00 72.50 71.34 1y48 s THR 58 CO -0.05 -0.03 1.53 0.23 -0.54 0.00 0.00 174.62 175.76 1y48 n MET 59 N -1.74 2.41 -1.73 3.99 2.81 -1.26 -4.98 117.12 116.62 1y48 n MET 59 Ca 0.15 -3.43 -0.32 0.00 -1.81 0.00 0.00 57.70 52.29 1y48 n MET 59 Cb 0.48 -2.03 0.04 0.00 -0.71 0.00 0.00 33.22 31.01 1y48 n MET 59 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1y48 s GLU 60 N -3.44 2.93 -0.28 0.03 1.03 -1.26 -5.05 118.70 112.67 1y48 s GLU 60 Ca 0.50 1.17 -0.02 0.00 0.03 0.00 0.00 54.97 56.65 1y48 s GLU 60 Cb 0.43 -1.98 0.04 0.00 -0.80 0.00 0.00 34.13 31.81 1y48 s GLU 60 CO 0.01 -1.12 -0.01 -0.47 -1.33 0.00 0.00 175.26 172.34 1y48 s TYR 61 N -2.66 3.17 -0.29 4.83 5.04 -1.26 -4.99 117.35 121.19 1y48 s TYR 61 Ca 0.62 -1.64 -0.03 0.00 -2.44 0.00 0.00 57.07 53.59 1y48 s TYR 61 Cb -0.17 -2.11 0.04 0.00 0.35 0.00 0.00 41.96 40.07 1y48 s TYR 61 CO 0.46 -0.75 0.01 1.03 -1.34 0.00 0.00 175.55 174.95 1y48 s ARG 62 N 1.31 2.64 0.48 4.97 0.52 0.21 -4.97 118.95 124.11 1y48 s ARG 62 Ca -0.02 -1.13 0.32 0.00 -0.52 0.00 0.00 55.73 54.38 1y48 s ARG 62 Cb -0.18 -3.19 1.35 0.00 0.52 0.00 0.00 34.95 33.45 1y48 s ARG 62 CO -0.02 -0.54 1.94 0.97 0.02 0.00 0.00 175.30 177.66 1y48 h ILE 63 N 6.27 0.00 -0.00 1.52 2.10 -1.94 -2.12 117.51 123.33 1y48 h ILE 63 Ca -0.26 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1y48 h ILE 63 Cb 1.08 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 1y48 h ILE 63 CO 0.56 0.00 -0.42 0.47 -1.08 0.00 0.00 178.15 177.68 1y48 n ASP 64 N -2.85 0.74 -4.79 2.19 8.00 -1.26 -4.75 116.55 113.83 1y48 n ASP 64 Ca 0.01 -0.54 -0.28 0.00 0.71 0.00 0.00 54.79 54.68 1y48 n ASP 64 Cb 0.26 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1y48 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y48 s ALA 65 N -2.79 3.56 -0.08 2.24 0.00 -0.83 -0.60 121.76 123.25 1y48 s ALA 65 Ca 0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1y48 s ALA 65 Cb 0.18 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.95 1y48 s ALA 65 CO 0.63 0.59 -0.01 0.08 0.00 0.00 0.00 175.76 177.05 1y48 s VAL 66 N -1.62 0.46 -0.14 0.00 1.01 -0.61 -1.25 120.40 118.25 1y48 s VAL 66 Ca 0.30 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1y48 s VAL 66 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1y48 s VAL 66 CO 0.23 0.25 0.48 -0.13 0.00 0.00 0.00 175.10 175.93 1y48 s ARG 67 N 1.94 4.30 -0.22 2.72 0.52 -1.26 -1.83 118.95 125.12 1y48 s ARG 67 Ca 0.05 0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.63 1y48 s ARG 67 Cb -0.13 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1y48 s ARG 67 CO -0.06 0.08 0.01 -0.51 0.02 0.00 0.00 175.30 174.84 1y48 s LEU 68 N 0.88 3.23 -0.36 2.53 1.43 0.86 -4.52 118.68 122.73 1y48 s LEU 68 Ca 0.25 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1y48 s LEU 68 Cb -0.15 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1y48 s LEU 68 CO 0.10 0.02 0.38 -0.36 0.23 0.00 0.00 176.35 176.71 1y48 s PHE 69 N 1.28 3.20 0.10 0.29 0.08 -1.26 -0.21 117.98 121.48 1y48 s PHE 69 Ca 0.04 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.03 1y48 s PHE 69 Cb -0.15 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.55 1y48 s PHE 69 CO 0.01 -0.49 0.03 0.14 -0.10 0.00 0.00 175.22 174.81 1y48 s VAL 70 N 2.03 4.16 0.58 -0.44 -7.23 0.03 -0.90 120.40 118.63 1y48 s VAL 70 Ca 0.12 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 1y48 s VAL 70 Cb -0.17 -3.01 0.13 0.00 0.56 0.00 0.00 36.38 33.90 1y48 s VAL 70 CO 0.12 0.08 0.77 -0.90 -0.31 0.00 0.00 175.10 174.85 1y48 n ASP 71 N 0.39 -0.04 0.04 4.85 5.68 0.29 -0.70 116.55 127.06 1y48 n ASP 71 Ca -0.10 -1.26 0.09 0.00 -0.50 0.00 0.00 54.79 53.03 1y48 n ASP 71 Cb 0.52 -0.59 0.39 0.00 -1.14 0.00 0.00 41.12 40.30 1y48 n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1y48 n ARG 72 N -2.69 0.06 -0.08 0.11 1.85 -1.26 -1.63 116.66 113.03 1y48 n ARG 72 Ca 0.10 0.27 0.12 0.00 -1.00 0.00 0.00 57.85 57.33 1y48 n ARG 72 Cb 0.34 -1.61 0.32 0.00 -1.05 0.00 0.00 32.46 30.46 1y48 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1y48 n LEU 73 N -1.72 2.29 -1.57 2.89 4.77 -1.26 -4.95 117.00 117.45 1y48 n LEU 73 Ca 0.04 -0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 54.98 1y48 n LEU 73 Cb 0.21 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1y48 n LEU 73 CO 0.17 0.45 -0.13 0.47 -1.33 0.00 0.00 177.39 177.02 1y48 n ASP 74 N 0.75 -4.10 -4.80 -1.43 9.92 -0.65 -4.99 116.55 111.25 1y48 n ASP 74 Ca 0.17 -0.05 -0.28 0.00 -0.53 0.00 0.00 54.79 54.11 1y48 n ASP 74 Cb 0.45 -3.23 -0.06 0.00 -0.64 0.00 0.00 41.12 37.64 1y48 n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1y48 s ASN 75 N -2.51 5.56 0.07 -2.24 0.01 -1.26 -1.01 114.94 113.56 1y48 s ASN 75 Ca 0.04 -0.08 -0.31 0.00 -0.71 0.00 0.00 52.86 51.81 1y48 s ASN 75 Cb -0.02 -1.48 -0.08 0.00 0.41 0.00 0.00 41.25 40.09 1y48 s ASN 75 CO 0.05 0.10 1.55 -0.63 -1.51 0.00 0.00 177.10 176.66 1y48 s ILE 76 N -1.63 3.17 -0.71 0.60 -1.09 0.58 -0.55 121.20 121.58 1y48 s ILE 76 Ca 0.31 0.68 0.06 0.00 -2.23 0.00 0.00 60.65 59.47 1y48 s ILE 76 Cb -0.11 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1y48 s ILE 76 CO 0.23 0.01 0.64 0.00 -1.23 0.00 0.00 174.94 174.59 1y48 n ALA 77 N 5.12 2.52 -3.10 9.38 0.00 -0.08 -0.29 120.51 134.06 1y48 n ALA 77 Ca 0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1y48 n ALA 77 Cb 0.41 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 1y48 n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y48 s GLN 78 N -0.64 0.46 0.02 0.00 -0.21 -1.25 -4.99 119.66 113.05 1y48 s GLN 78 Ca 0.07 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 1y48 s GLN 78 Cb 0.05 0.19 -0.08 0.00 1.00 0.00 0.00 33.01 34.17 1y48 s GLN 78 CO 0.10 -0.11 1.93 0.08 -2.12 0.00 0.00 175.29 175.17 1y48 s VAL 79 N -1.30 3.10 0.33 1.09 1.01 -1.26 -4.73 120.40 118.64 1y48 s VAL 79 Ca -0.14 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1y48 s VAL 79 Cb -0.07 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1y48 s VAL 79 CO 0.01 -0.01 1.30 -2.84 0.00 0.00 0.00 175.10 173.56 1y48 s PRO 80 N 4.46 4.36 0.12 2.72 0.02 -1.26 -4.87 135.00 140.55 1y48 s PRO 80 Ca 0.87 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 64.04 1y48 s PRO 80 Cb -0.41 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 1y48 s PRO 80 CO 0.40 -0.18 0.13 -0.98 -0.33 0.00 0.00 177.00 176.04 1y48 s ARG 81 N -1.79 0.91 0.47 5.54 1.70 -1.26 -0.60 118.95 123.92 1y48 s ARG 81 Ca 0.49 -1.23 -0.23 0.00 -0.47 0.00 0.00 55.73 54.29 1y48 s ARG 81 Cb -0.39 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.21 1y48 s ARG 81 CO 0.52 -0.28 1.27 0.08 -1.08 0.00 0.00 175.30 175.82 1y48 s VAL 82 N -3.96 2.62 0.00 4.99 1.01 -0.30 -4.09 120.40 120.67 1y48 s VAL 82 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1y48 s VAL 82 Cb 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1y48 s VAL 82 CO -0.04 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69