#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm1 s LYS 21 N 0.00 4.26 0.00 2.12 2.20 -1.26 -4.88 119.74 122.18 1tm1 s LYS 21 Ca 0.00 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1tm1 s LYS 21 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1tm1 s LYS 21 CO 0.00 -0.65 0.54 0.25 -0.36 0.00 0.00 175.35 175.14 1tm1 n THR 22 N 5.16 0.15 -3.89 3.43 -2.24 -1.26 -4.98 114.28 110.65 1tm1 n THR 22 Ca 0.13 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1tm1 n THR 22 Cb 0.45 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1tm1 n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tm1 s GLU 23 N -0.15 0.47 -0.48 -0.78 2.02 -1.26 -1.11 118.70 117.41 1tm1 s GLU 23 Ca 0.00 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 54.62 1tm1 s GLU 23 Cb 0.00 0.19 0.29 0.00 0.10 0.00 0.00 34.13 34.71 1tm1 s GLU 23 CO 0.00 -0.11 0.69 0.91 0.02 0.00 0.00 175.26 176.77 1tm1 n TRP 24 N 1.41 1.49 0.29 1.61 8.01 -0.04 -4.93 117.44 125.29 1tm1 n TRP 24 Ca -0.23 -3.84 0.16 0.00 -1.31 0.00 0.00 57.50 52.28 1tm1 n TRP 24 Cb 0.56 -0.44 0.90 0.00 -2.01 0.00 0.00 31.31 30.31 1tm1 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1tm1 h PRO 25 N 3.67 0.00 0.00 -0.99 0.13 -1.94 -1.06 132.00 131.80 1tm1 h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1tm1 h PRO 25 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1tm1 h PRO 25 CO 0.62 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1tm1 n GLU 26 N -3.60 0.13 0.00 0.86 0.00 -1.26 -2.52 120.64 114.25 1tm1 n GLU 26 Ca -0.02 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.65 1tm1 n GLU 26 Cb 0.14 -1.76 0.28 0.00 0.00 0.00 0.00 31.44 30.11 1tm1 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1tm1 n LEU 27 N -2.00 0.46 -4.74 -1.84 4.77 -0.40 -4.82 117.00 108.42 1tm1 n LEU 27 Ca 0.02 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1tm1 n LEU 27 Cb 0.19 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1tm1 n LEU 27 CO 0.16 0.10 1.20 -0.69 -1.33 0.00 0.00 177.39 176.83 1tm1 s VAL 28 N -3.01 2.37 0.00 4.08 1.01 -1.05 -1.45 120.40 122.35 1tm1 s VAL 28 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1tm1 s VAL 28 Cb 0.17 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1tm1 s VAL 28 CO 0.68 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1tm1 n GLY 29 N 2.51 1.74 3.92 4.51 0.00 0.69 -4.96 105.19 113.59 1tm1 n GLY 29 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1tm1 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tm1 s LYS 30 N -0.23 2.65 0.65 1.61 -0.14 -0.53 -4.72 119.74 119.03 1tm1 s LYS 30 Ca 0.00 -0.10 -0.16 0.00 -1.36 0.00 0.00 55.97 54.35 1tm1 s LYS 30 Cb 0.00 -2.23 -0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1tm1 s LYS 30 CO 0.00 -0.91 1.15 -1.54 -0.76 0.00 0.00 175.35 173.30 1tm1 s SER 31 N -4.39 4.95 0.40 2.83 1.04 -1.26 -0.40 113.70 116.87 1tm1 s SER 31 Ca 0.56 2.18 0.09 0.00 0.48 0.00 0.00 55.95 59.26 1tm1 s SER 31 Cb -0.11 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.32 1tm1 s SER 31 CO 0.45 -1.74 2.01 1.62 0.98 0.00 0.00 173.24 176.55 1tm1 h VAL 32 N 0.22 1.02 -0.13 5.02 3.04 -1.52 -1.68 116.25 122.23 1tm1 h VAL 32 Ca -0.48 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1tm1 h VAL 32 Cb 1.27 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1tm1 h VAL 32 CO 0.53 0.10 0.04 -0.33 -1.01 0.00 0.00 177.57 176.91 1tm1 h GLU 33 N 0.57 0.19 -0.64 4.17 3.07 -1.91 -1.10 114.58 118.92 1tm1 h GLU 33 Ca 0.23 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1tm1 h GLU 33 Cb 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1tm1 h GLU 33 CO -0.07 0.32 0.07 1.49 -1.40 0.00 0.00 179.01 179.42 1tm1 h GLU 34 N 0.03 1.09 -0.47 2.33 4.81 -1.86 -2.00 114.58 118.51 1tm1 h GLU 34 Ca 0.04 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1tm1 h GLU 34 Cb 0.20 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1tm1 h GLU 34 CO -0.00 1.02 0.21 0.00 -0.73 0.00 0.00 179.01 179.50 1tm1 h ALA 35 N 1.03 0.59 -0.63 2.92 0.00 -1.13 -0.86 119.26 121.18 1tm1 h ALA 35 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tm1 h ALA 35 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1tm1 h ALA 35 CO 0.02 -0.17 0.41 0.87 0.00 0.00 0.00 179.25 180.38 1tm1 h LYS 36 N 0.41 0.83 -0.30 0.00 1.57 -0.96 -0.06 116.57 118.06 1tm1 h LYS 36 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1tm1 h LYS 36 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1tm1 h LYS 36 CO -0.18 0.56 0.15 -0.22 -0.57 0.00 0.00 179.45 179.18 1tm1 h LYS 37 N 0.85 0.43 -0.24 3.15 3.64 -0.83 -1.41 116.57 122.15 1tm1 h LYS 37 Ca 0.23 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1tm1 h LYS 37 Cb -0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1tm1 h LYS 37 CO -0.05 0.40 0.01 0.28 -2.27 0.00 0.00 179.45 177.82 1tm1 h VAL 38 N 0.35 1.25 -0.70 2.00 2.07 -0.94 -2.17 116.25 118.11 1tm1 h VAL 38 Ca 0.10 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1tm1 h VAL 38 Cb 0.11 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1tm1 h VAL 38 CO -0.01 0.27 0.38 0.40 0.02 0.00 0.00 177.57 178.63 1tm1 h ILE 39 N 0.21 1.22 0.00 4.57 2.04 -0.92 -2.03 117.51 122.59 1tm1 h ILE 39 Ca 0.07 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1tm1 h ILE 39 Cb 0.39 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1tm1 h ILE 39 CO 0.01 0.24 -0.13 -0.07 0.00 0.00 0.00 178.15 178.20 1tm1 h LEU 40 N 0.96 0.00 -0.47 1.44 3.38 -1.13 0.39 115.31 119.89 1tm1 h LEU 40 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1tm1 h LEU 40 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1tm1 h LEU 40 CO -0.04 0.13 -0.35 1.56 0.09 0.00 0.00 178.44 179.83 1tm1 h GLN 41 N 0.00 0.89 0.00 1.13 4.20 -0.72 -2.77 115.11 117.85 1tm1 h GLN 41 Ca -0.00 -0.44 -0.24 0.00 0.06 0.00 0.00 58.65 58.03 1tm1 h GLN 41 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1tm1 h GLN 41 CO 0.02 1.09 -1.21 -0.44 -0.67 0.00 0.00 178.83 177.62 1tm1 h ASP 42 N 0.74 0.01 -2.01 1.46 3.32 -0.73 -3.40 116.42 115.81 1tm1 h ASP 42 Ca 0.07 -0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.58 1tm1 h ASP 42 Cb 0.92 -0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.12 1tm1 h ASP 42 CO 0.09 1.01 -0.94 1.17 -1.72 0.00 0.00 179.24 178.85 1tm1 n LYS 43 N -3.27 0.39 0.26 3.56 4.81 0.13 -4.93 118.16 119.11 1tm1 n LYS 43 Ca -0.05 -3.00 0.13 0.00 -0.87 0.00 0.00 58.31 54.52 1tm1 n LYS 43 Cb 0.97 -1.51 0.81 0.00 0.02 0.00 0.00 35.03 35.32 1tm1 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tm1 h PRO 44 N 5.04 0.00 -0.23 1.64 0.11 -1.69 -0.94 132.00 135.93 1tm1 h PRO 44 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1tm1 h PRO 44 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1tm1 h PRO 44 CO 0.36 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1tm1 n ALA 45 N -2.41 2.49 -1.70 -0.75 0.00 -1.26 -4.97 120.51 111.92 1tm1 n ALA 45 Ca -0.02 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1tm1 n ALA 45 Cb 0.14 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1tm1 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm1 n ALA 46 N 0.36 1.49 -2.75 0.00 0.00 -0.36 -4.96 120.51 114.29 1tm1 n ALA 46 Ca 0.14 0.38 -0.44 0.00 0.00 0.00 0.00 53.44 53.52 1tm1 n ALA 46 Cb 0.31 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 1tm1 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tm1 s GLN 47 N -1.24 3.04 -0.20 0.00 -0.21 0.85 -4.95 119.66 116.94 1tm1 s GLN 47 Ca 0.60 -1.11 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 1tm1 s GLN 47 Cb -0.58 -4.09 -0.05 0.00 1.00 0.00 0.00 33.01 29.30 1tm1 s GLN 47 CO 0.56 -1.04 0.20 0.42 -2.12 0.00 0.00 175.29 173.31 1tm1 s ILE 48 N 2.01 5.36 -0.05 1.08 1.01 -1.26 -1.53 121.20 127.82 1tm1 s ILE 48 Ca 0.09 0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1tm1 s ILE 48 Cb -0.21 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1tm1 s ILE 48 CO 0.09 0.39 -0.20 -0.63 0.00 0.00 0.00 174.94 174.59 1tm1 s ILE 49 N 0.63 1.67 -0.18 2.92 1.09 -0.93 -4.99 121.20 121.41 1tm1 s ILE 49 Ca 0.11 -0.86 -0.07 0.00 -1.10 0.00 0.00 60.65 58.73 1tm1 s ILE 49 Cb -0.12 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 39.82 1tm1 s ILE 49 CO 0.02 0.47 0.05 -0.69 -0.10 0.00 0.00 174.94 174.69 1tm1 s VAL 50 N -0.09 4.66 0.06 2.92 1.01 -1.26 -0.28 120.40 127.42 1tm1 s VAL 50 Ca -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1tm1 s VAL 50 Cb -0.12 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1tm1 s VAL 50 CO 0.02 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.76 1tm1 s LEU 51 N 0.40 2.38 0.34 3.92 1.43 -0.13 -4.96 118.68 122.07 1tm1 s LEU 51 Ca 0.02 -0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 52.07 1tm1 s LEU 51 Cb -0.13 -0.07 -0.09 0.00 0.03 0.00 0.00 46.19 45.93 1tm1 s LEU 51 CO 0.01 -0.36 1.20 -2.84 0.23 0.00 0.00 176.35 174.59 1tm1 s PRO 52 N -2.72 4.33 0.61 1.29 0.02 -1.26 -1.24 135.00 136.03 1tm1 s PRO 52 Ca 0.00 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.80 1tm1 s PRO 52 Cb -0.02 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1tm1 s PRO 52 CO -0.03 -0.12 1.21 0.54 -0.33 0.00 0.00 177.00 178.27 1tm1 s VAL 53 N -1.24 2.62 -0.31 3.83 0.11 0.35 -3.12 120.40 122.63 1tm1 s VAL 53 Ca 0.50 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1tm1 s VAL 53 Cb -0.34 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1tm1 s VAL 53 CO 0.44 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1tm1 n GLY 54 N 0.46 0.46 3.84 6.54 0.00 -1.26 -4.97 105.19 110.26 1tm1 n GLY 54 Ca 0.14 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1tm1 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tm1 s THR 55 N -2.13 2.86 -0.08 2.61 -4.23 -1.18 -5.12 115.64 108.36 1tm1 s THR 55 Ca 0.00 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1tm1 s THR 55 Cb 0.00 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1tm1 s THR 55 CO 0.00 -0.06 0.10 -0.63 -0.54 0.00 0.00 174.62 173.49 1tm1 s ILE 56 N -2.44 5.08 0.15 2.99 -1.09 -1.26 -5.10 121.20 119.53 1tm1 s ILE 56 Ca 0.44 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1tm1 s ILE 56 Cb -0.03 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1tm1 s ILE 56 CO 0.26 0.55 -0.02 0.68 -1.23 0.00 0.00 174.94 175.18 1tm1 s VAL 57 N -1.05 0.65 0.57 2.92 -7.23 -1.26 -5.14 120.40 109.86 1tm1 s VAL 57 Ca 0.17 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 1tm1 s VAL 57 Cb -0.12 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1tm1 s VAL 57 CO 0.07 -0.60 1.36 0.42 -0.31 0.00 0.00 175.10 176.04 1tm1 s THR 58 N -3.67 2.01 -0.49 5.32 -4.23 -1.26 -4.95 115.64 108.37 1tm1 s THR 58 Ca 0.20 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1tm1 s THR 58 Cb 0.06 -3.00 0.52 0.00 1.34 0.00 0.00 72.50 71.41 1tm1 s THR 58 CO 0.01 -0.00 1.77 0.23 -0.54 0.00 0.00 174.62 176.09 1tm1 n MET 59 N -1.20 2.56 -2.56 3.99 2.81 -1.26 -4.97 117.12 116.49 1tm1 n MET 59 Ca 0.11 -3.34 -0.29 0.00 -1.81 0.00 0.00 57.70 52.37 1tm1 n MET 59 Cb 0.45 -2.17 -0.01 0.00 -0.71 0.00 0.00 33.22 30.78 1tm1 n MET 59 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1tm1 s GLU 60 N -3.55 3.65 -0.23 0.03 1.03 -1.26 -5.07 118.70 113.30 1tm1 s GLU 60 Ca 0.57 0.43 -0.04 0.00 0.03 0.00 0.00 54.97 55.96 1tm1 s GLU 60 Cb 0.47 -2.32 0.00 0.00 -0.80 0.00 0.00 34.13 31.48 1tm1 s GLU 60 CO 0.03 -0.22 -0.04 -0.47 -1.33 0.00 0.00 175.26 173.23 1tm1 s TYR 61 N -2.69 2.99 -0.24 4.83 5.04 -1.26 -5.01 117.35 121.00 1tm1 s TYR 61 Ca 0.51 -1.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 1tm1 s TYR 61 Cb -0.10 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.16 1tm1 s TYR 61 CO 0.41 -0.59 -0.08 1.03 -1.34 0.00 0.00 175.55 174.99 1tm1 s ARG 62 N 1.45 1.87 0.62 4.97 0.52 0.14 -4.99 118.95 123.54 1tm1 s ARG 62 Ca 0.05 -1.13 0.39 0.00 -0.52 0.00 0.00 55.73 54.51 1tm1 s ARG 62 Cb -0.15 -2.71 2.07 0.00 0.52 0.00 0.00 34.95 34.68 1tm1 s ARG 62 CO -0.03 -0.58 2.26 0.97 0.02 0.00 0.00 175.30 177.93 1tm1 h ILE 63 N 6.71 0.13 0.00 1.52 2.10 -1.95 -2.01 117.51 124.02 1tm1 h ILE 63 Ca -0.18 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1tm1 h ILE 63 Cb 1.06 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1tm1 h ILE 63 CO 0.43 0.01 -0.38 0.47 -1.08 0.00 0.00 178.15 177.60 1tm1 n ASP 64 N -3.25 0.40 -4.88 2.19 8.00 -1.26 -4.67 116.55 113.08 1tm1 n ASP 64 Ca -0.02 -0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.10 1tm1 n ASP 64 Cb 0.13 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1tm1 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1tm1 s ARG 65 N -3.02 3.56 -0.19 -1.24 3.52 -0.77 -0.11 118.95 120.70 1tm1 s ARG 65 Ca 0.11 -0.09 -0.02 0.00 -0.13 0.00 0.00 55.73 55.60 1tm1 s ARG 65 Cb 0.17 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.52 1tm1 s ARG 65 CO 0.66 0.67 0.01 0.08 -0.81 0.00 0.00 175.30 175.91 1tm1 s VAL 66 N -1.26 0.78 0.17 7.11 1.01 -0.58 -0.95 120.40 126.69 1tm1 s VAL 66 Ca 0.26 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1tm1 s VAL 66 Cb -0.13 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 1tm1 s VAL 66 CO 0.15 -0.13 0.81 -0.13 0.00 0.00 0.00 175.10 175.79 1tm1 s ARG 67 N 1.75 4.62 -0.20 2.72 0.52 -1.26 -2.20 118.95 124.90 1tm1 s ARG 67 Ca -0.01 1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 56.40 1tm1 s ARG 67 Cb -0.17 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1tm1 s ARG 67 CO -0.07 0.55 -0.12 -0.51 0.02 0.00 0.00 175.30 175.17 1tm1 s LEU 68 N -1.10 2.55 -0.34 2.53 1.43 0.61 -4.44 118.68 119.92 1tm1 s LEU 68 Ca 0.37 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1tm1 s LEU 68 Cb -0.24 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1tm1 s LEU 68 CO 0.27 0.00 0.27 -0.36 0.23 0.00 0.00 176.35 176.77 1tm1 s PHE 69 N 1.32 3.22 0.08 0.29 0.08 -1.26 -0.95 117.98 120.76 1tm1 s PHE 69 Ca 0.04 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.97 1tm1 s PHE 69 Cb -0.14 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 1tm1 s PHE 69 CO -0.07 -0.38 -0.01 0.14 -0.10 0.00 0.00 175.22 174.80 1tm1 s VAL 70 N 1.80 4.00 0.59 -0.44 -7.23 -0.37 -0.77 120.40 117.98 1tm1 s VAL 70 Ca 0.08 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 1tm1 s VAL 70 Cb -0.17 -2.89 0.14 0.00 0.56 0.00 0.00 36.38 34.02 1tm1 s VAL 70 CO 0.11 0.16 0.81 -0.90 -0.31 0.00 0.00 175.10 174.96 1tm1 n ASP 71 N 0.69 0.11 0.00 4.85 5.68 -0.28 -0.50 116.55 127.11 1tm1 n ASP 71 Ca -0.11 -1.32 0.10 0.00 -0.50 0.00 0.00 54.79 52.95 1tm1 n ASP 71 Cb 0.52 -0.61 0.45 0.00 -1.14 0.00 0.00 41.12 40.34 1tm1 n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1tm1 n ARG 72 N -2.70 0.10 0.00 0.11 1.85 -1.26 -1.95 116.66 112.80 1tm1 n ARG 72 Ca 0.10 0.14 0.13 0.00 -1.00 0.00 0.00 57.85 57.22 1tm1 n ARG 72 Cb 0.36 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.59 1tm1 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tm1 n LEU 73 N -1.43 1.79 -0.88 2.89 4.77 -1.26 -4.96 117.00 117.92 1tm1 n LEU 73 Ca 0.06 -0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 55.37 1tm1 n LEU 73 Cb 0.21 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1tm1 n LEU 73 CO 0.17 0.31 -0.10 0.47 -1.33 0.00 0.00 177.39 176.91 1tm1 n ASP 74 N 0.21 -3.04 -4.87 -1.43 9.92 -0.82 -5.00 116.55 111.51 1tm1 n ASP 74 Ca 0.15 0.02 -0.27 0.00 -0.53 0.00 0.00 54.79 54.15 1tm1 n ASP 74 Cb 0.42 -2.21 -0.04 0.00 -0.64 0.00 0.00 41.12 38.65 1tm1 n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1tm1 s ASN 75 N -2.67 5.96 0.11 -2.24 0.01 -1.26 -1.28 114.94 113.57 1tm1 s ASN 75 Ca 0.00 0.06 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 1tm1 s ASN 75 Cb 0.00 -1.70 -0.07 0.00 0.41 0.00 0.00 41.25 39.89 1tm1 s ASN 75 CO 0.00 0.09 1.23 -0.63 -1.51 0.00 0.00 177.10 176.28 1tm1 s ILE 76 N -1.67 3.74 -0.35 0.60 -1.09 0.46 -1.13 121.20 121.75 1tm1 s ILE 76 Ca 0.33 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 60.10 1tm1 s ILE 76 Cb -0.11 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1tm1 s ILE 76 CO 0.26 0.14 0.40 0.00 -1.23 0.00 0.00 174.94 174.51 1tm1 n ALA 77 N 3.45 2.48 -3.17 9.38 0.00 0.05 -0.22 120.51 132.48 1tm1 n ALA 77 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1tm1 n ALA 77 Cb 0.45 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 1tm1 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tm1 s GLN 78 N -0.81 0.56 0.01 0.00 0.74 -1.25 -4.98 119.66 113.95 1tm1 s GLN 78 Ca 0.03 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1tm1 s GLN 78 Cb 0.03 0.24 -0.08 0.00 1.10 0.00 0.00 33.01 34.31 1tm1 s GLN 78 CO 0.10 -0.14 1.87 0.08 -0.55 0.00 0.00 175.29 176.64 1tm1 s VAL 79 N -1.32 3.19 0.36 1.34 1.01 -1.26 -4.72 120.40 118.99 1tm1 s VAL 79 Ca -0.14 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1tm1 s VAL 79 Cb -0.06 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 1tm1 s VAL 79 CO 0.03 -0.02 1.30 -2.84 0.00 0.00 0.00 175.10 173.57 1tm1 s PRO 80 N 4.31 4.23 0.08 2.72 0.02 -1.26 -4.87 135.00 140.23 1tm1 s PRO 80 Ca 0.84 2.19 -0.08 0.00 0.02 0.00 0.00 61.00 63.97 1tm1 s PRO 80 Cb -0.40 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1tm1 s PRO 80 CO 0.38 -0.28 0.17 -0.98 -0.33 0.00 0.00 177.00 175.95 1tm1 s ARG 81 N -1.95 0.80 0.43 5.54 1.70 -1.26 -0.86 118.95 123.35 1tm1 s ARG 81 Ca 0.51 -0.94 -0.24 0.00 -0.47 0.00 0.00 55.73 54.59 1tm1 s ARG 81 Cb -0.39 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.23 1tm1 s ARG 81 CO 0.51 -0.24 1.20 0.14 -1.08 0.00 0.00 175.30 175.84 1tm1 s VAL 82 N -3.68 2.97 0.00 4.99 -7.23 -0.27 -4.14 120.40 113.04 1tm1 s VAL 82 Ca 0.04 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1tm1 s VAL 82 Cb 0.04 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1tm1 s VAL 82 CO -0.10 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.35