#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm5 s LYS 21 N nan 4.12 0.00 0.00 2.20 -1.26 -4.88 119.74 nan 1tm5 s LYS 21 Ca nan 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 nan 1tm5 s LYS 21 Cb nan -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 nan 1tm5 s LYS 21 CO nan -0.96 0.47 0.25 -0.36 0.00 0.00 175.35 nan 1tm5 n THR 22 N 5.62 0.07 -3.90 3.43 -2.24 -1.26 -4.98 114.28 111.02 1tm5 n THR 22 Ca 0.19 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1tm5 n THR 22 Cb 0.42 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1tm5 n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tm5 s GLU 23 N -0.07 0.43 -0.48 -0.78 2.02 -1.26 -1.01 118.70 117.56 1tm5 s GLU 23 Ca 0.00 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 54.63 1tm5 s GLU 23 Cb 0.00 0.17 0.27 0.00 0.10 0.00 0.00 34.13 34.68 1tm5 s GLU 23 CO 0.00 -0.10 0.65 0.91 0.02 0.00 0.00 175.26 176.75 1tm5 n TRP 24 N 1.52 1.30 0.30 1.61 8.01 -0.09 -4.94 117.44 125.15 1tm5 n TRP 24 Ca -0.23 -3.81 0.17 0.00 -1.31 0.00 0.00 57.50 52.32 1tm5 n TRP 24 Cb 0.55 -0.43 0.92 0.00 -2.01 0.00 0.00 31.31 30.34 1tm5 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1tm5 h PRO 25 N 3.84 0.00 0.00 -0.99 0.13 -1.94 -1.55 132.00 131.49 1tm5 h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1tm5 h PRO 25 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1tm5 h PRO 25 CO 0.61 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1tm5 n GLU 26 N -3.44 0.05 0.01 0.86 0.00 -1.26 -2.39 120.64 114.47 1tm5 n GLU 26 Ca -0.02 0.24 0.12 0.00 0.00 0.00 0.00 57.16 57.50 1tm5 n GLU 26 Cb 0.16 -1.58 0.26 0.00 0.00 0.00 0.00 31.44 30.28 1tm5 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1tm5 n LEU 27 N -1.66 0.50 -4.74 -1.84 4.77 -0.58 -4.82 117.00 108.62 1tm5 n LEU 27 Ca 0.04 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1tm5 n LEU 27 Cb 0.22 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1tm5 n LEU 27 CO 0.17 0.08 1.16 -0.69 -1.33 0.00 0.00 177.39 176.79 1tm5 s VAL 28 N -3.03 2.47 0.00 4.08 1.01 -1.00 -1.49 120.40 122.43 1tm5 s VAL 28 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1tm5 s VAL 28 Cb 0.17 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1tm5 s VAL 28 CO 0.69 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.46 1tm5 n GLY 29 N 2.32 1.95 3.90 4.51 0.00 0.59 -4.97 105.19 113.49 1tm5 n GLY 29 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1tm5 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tm5 s LYS 30 N -0.31 2.94 0.76 1.61 -0.14 -0.56 -4.71 119.74 119.33 1tm5 s LYS 30 Ca 0.00 0.21 -0.13 0.00 -1.36 0.00 0.00 55.97 54.69 1tm5 s LYS 30 Cb 0.00 -2.17 0.06 0.00 -1.68 0.00 0.00 37.83 34.04 1tm5 s LYS 30 CO 0.00 -0.81 1.17 -1.54 -0.76 0.00 0.00 175.35 173.40 1tm5 s SER 31 N -4.32 4.11 0.41 2.83 1.04 -1.26 -0.56 113.70 115.94 1tm5 s SER 31 Ca 0.55 2.21 0.09 0.00 0.48 0.00 0.00 55.95 59.28 1tm5 s SER 31 Cb -0.11 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.31 1tm5 s SER 31 CO 0.48 -2.32 2.00 1.62 0.98 0.00 0.00 173.24 176.01 1tm5 h VAL 32 N -0.66 1.12 -0.15 5.02 3.04 -1.60 -1.63 116.25 121.38 1tm5 h VAL 32 Ca -0.46 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 64.78 1tm5 h VAL 32 Cb 1.28 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1tm5 h VAL 32 CO 0.49 0.15 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.86 1tm5 h GLU 33 N 0.36 0.27 -0.56 4.17 3.07 -1.91 -0.61 114.58 119.37 1tm5 h GLU 33 Ca 0.09 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1tm5 h GLU 33 Cb 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1tm5 h GLU 33 CO -0.00 0.52 0.25 1.49 -1.40 0.00 0.00 179.01 179.86 1tm5 h GLU 34 N 0.00 0.82 -0.45 2.33 4.81 -1.87 -2.05 114.58 118.17 1tm5 h GLU 34 Ca 0.04 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1tm5 h GLU 34 Cb 0.40 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1tm5 h GLU 34 CO 0.01 0.69 0.16 0.00 -0.73 0.00 0.00 179.01 179.14 1tm5 h ALA 35 N 1.09 0.54 -0.62 2.92 0.00 -1.08 -0.64 119.26 121.47 1tm5 h ALA 35 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1tm5 h ALA 35 Cb 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1tm5 h ALA 35 CO -0.02 -0.23 0.36 0.87 0.00 0.00 0.00 179.25 180.24 1tm5 h LYS 36 N 0.33 0.69 -0.25 0.00 1.57 -0.90 -0.23 116.57 117.78 1tm5 h LYS 36 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1tm5 h LYS 36 Cb 0.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1tm5 h LYS 36 CO -0.21 0.45 0.13 -0.22 -0.57 0.00 0.00 179.45 179.03 1tm5 h LYS 37 N 0.71 0.36 -0.14 3.15 3.64 -0.80 -1.38 116.57 122.11 1tm5 h LYS 37 Ca 0.26 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1tm5 h LYS 37 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1tm5 h LYS 37 CO -0.13 0.35 0.02 0.28 -2.27 0.00 0.00 179.45 177.70 1tm5 h VAL 38 N 0.29 1.22 -0.79 2.00 2.07 -0.89 -2.04 116.25 118.12 1tm5 h VAL 38 Ca 0.09 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1tm5 h VAL 38 Cb 0.10 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1tm5 h VAL 38 CO -0.01 0.21 0.52 0.40 0.02 0.00 0.00 177.57 178.70 1tm5 h ILE 39 N -0.00 1.18 0.00 4.57 2.04 -0.96 -1.84 117.51 122.50 1tm5 h ILE 39 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1tm5 h ILE 39 Cb 0.30 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1tm5 h ILE 39 CO 0.00 0.19 -0.05 -0.07 0.00 0.00 0.00 178.15 178.22 1tm5 h LEU 40 N 1.05 0.00 -0.22 1.44 3.38 -1.15 0.35 115.31 120.15 1tm5 h LEU 40 Ca 0.29 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.06 1tm5 h LEU 40 Cb -0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1tm5 h LEU 40 CO -0.07 0.05 -0.65 1.56 0.09 0.00 0.00 178.44 179.42 1tm5 h GLN 41 N 0.00 0.84 0.02 1.13 4.20 -0.60 -2.74 115.11 117.96 1tm5 h GLN 41 Ca -0.00 -0.60 -0.22 0.00 0.06 0.00 0.00 58.65 57.89 1tm5 h GLN 41 Cb 0.48 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1tm5 h GLN 41 CO 0.01 1.22 -1.01 -0.44 -0.67 0.00 0.00 178.83 177.94 1tm5 h ASP 42 N 0.60 0.08 -2.00 1.46 3.32 -0.80 -3.40 116.42 115.68 1tm5 h ASP 42 Ca -0.02 -0.08 -0.54 0.00 0.02 0.00 0.00 57.03 56.41 1tm5 h ASP 42 Cb 1.27 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.43 1tm5 h ASP 42 CO 0.14 1.04 -1.00 1.17 -1.72 0.00 0.00 179.24 178.87 1tm5 n LYS 43 N -3.42 0.49 0.32 3.56 4.81 0.12 -4.96 118.16 119.07 1tm5 n LYS 43 Ca -0.02 -3.07 0.20 0.00 -0.87 0.00 0.00 58.31 54.55 1tm5 n LYS 43 Cb 0.93 -1.42 1.05 0.00 0.02 0.00 0.00 35.03 35.61 1tm5 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tm5 h PRO 44 N 4.70 0.00 -0.53 1.64 0.11 -1.69 -1.41 132.00 134.83 1tm5 h PRO 44 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1tm5 h PRO 44 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1tm5 h PRO 44 CO 0.40 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 1tm5 n ALA 45 N -2.14 2.60 -1.78 -0.75 0.00 -1.26 -4.97 120.51 112.20 1tm5 n ALA 45 Ca -0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 52.08 1tm5 n ALA 45 Cb 0.12 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1tm5 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm5 s ALA 46 N -1.49 3.60 -0.52 0.00 0.00 -0.53 -4.96 121.76 117.86 1tm5 s ALA 46 Ca 0.33 1.54 -0.18 0.00 0.00 0.00 0.00 51.96 53.66 1tm5 s ALA 46 Cb 0.19 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.78 1tm5 s ALA 46 CO 0.20 -1.00 0.57 -0.65 0.00 0.00 0.00 175.76 174.88 1tm5 s GLN 47 N -1.71 3.05 -0.19 0.00 -0.21 0.87 -4.96 119.66 116.51 1tm5 s GLN 47 Ca 0.55 -1.22 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1tm5 s GLN 47 Cb -0.46 -4.18 -0.05 0.00 1.00 0.00 0.00 33.01 29.33 1tm5 s GLN 47 CO 0.59 -1.27 0.28 0.42 -2.12 0.00 0.00 175.29 173.19 1tm5 s ILE 48 N 2.27 5.30 -0.08 1.08 1.01 -1.26 -1.62 121.20 127.89 1tm5 s ILE 48 Ca 0.10 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.26 1tm5 s ILE 48 Cb -0.23 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1tm5 s ILE 48 CO 0.08 0.35 -0.17 -0.63 0.00 0.00 0.00 174.94 174.56 1tm5 s ILE 49 N 0.81 1.52 -0.23 2.92 1.09 -0.89 -4.99 121.20 121.43 1tm5 s ILE 49 Ca 0.15 -0.71 -0.12 0.00 -1.10 0.00 0.00 60.65 58.87 1tm5 s ILE 49 Cb -0.13 -1.34 -0.05 0.00 -1.06 0.00 0.00 42.46 39.88 1tm5 s ILE 49 CO 0.04 0.44 0.22 -0.69 -0.10 0.00 0.00 174.94 174.86 1tm5 s VAL 50 N 0.48 5.32 0.10 2.92 1.01 -1.26 -0.52 120.40 128.44 1tm5 s VAL 50 Ca -0.15 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1tm5 s VAL 50 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1tm5 s VAL 50 CO 0.06 0.33 -0.11 -0.76 0.00 0.00 0.00 175.10 174.61 1tm5 s LEU 51 N 1.08 2.38 0.21 3.92 1.43 -0.08 -4.96 118.68 122.66 1tm5 s LEU 51 Ca 0.11 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 1tm5 s LEU 51 Cb -0.14 -0.38 -0.09 0.00 0.03 0.00 0.00 46.19 45.62 1tm5 s LEU 51 CO 0.05 -0.21 1.28 -2.84 0.23 0.00 0.00 176.35 174.86 1tm5 s PRO 52 N -2.54 4.41 0.55 1.29 0.02 -1.26 -1.04 135.00 136.43 1tm5 s PRO 52 Ca 0.04 2.03 -0.22 0.00 0.02 0.00 0.00 61.00 62.88 1tm5 s PRO 52 Cb -0.05 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1tm5 s PRO 52 CO 0.01 -0.20 1.37 1.55 -0.33 0.00 0.00 177.00 179.40 1tm5 n VAL 53 N 2.35 3.89 -0.92 3.83 3.14 0.18 -3.06 118.33 127.75 1tm5 n VAL 53 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1tm5 n VAL 53 Cb 0.43 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.53 1tm5 n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1tm5 n GLY 54 N 0.75 0.44 3.89 7.55 0.00 -1.26 -4.97 105.19 111.58 1tm5 n GLY 54 Ca 0.11 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1tm5 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tm5 s THR 55 N -2.00 3.75 -0.10 2.61 -4.23 -1.17 -5.12 115.64 109.39 1tm5 s THR 55 Ca 0.00 -1.26 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1tm5 s THR 55 Cb 0.00 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1tm5 s THR 55 CO 0.00 -0.18 0.13 -0.63 -0.54 0.00 0.00 174.62 173.40 1tm5 s ILE 56 N -2.26 5.37 0.14 2.99 -1.09 -1.26 -5.10 121.20 120.00 1tm5 s ILE 56 Ca 0.42 0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 1tm5 s ILE 56 Cb -0.07 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1tm5 s ILE 56 CO 0.28 0.56 -0.08 0.68 -1.23 0.00 0.00 174.94 175.15 1tm5 s VAL 57 N -1.07 1.01 0.43 2.92 -7.23 -1.26 -5.13 120.40 110.07 1tm5 s VAL 57 Ca 0.17 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 1tm5 s VAL 57 Cb -0.12 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 1tm5 s VAL 57 CO 0.07 -0.72 1.23 0.35 -0.31 0.00 0.00 175.10 175.72 1tm5 n THR 58 N -0.18 2.63 -1.49 5.32 -2.24 -1.26 -4.93 114.28 112.12 1tm5 n THR 58 Ca -0.10 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.85 1tm5 n THR 58 Cb 0.61 -1.51 0.07 0.00 -2.10 0.00 0.00 70.33 67.40 1tm5 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tm5 n ALA 59 N -0.31 6.14 -2.54 6.98 0.00 -1.26 -4.96 120.51 124.56 1tm5 n ALA 59 Ca 0.07 -3.59 -0.29 0.00 0.00 0.00 0.00 53.44 49.64 1tm5 n ALA 59 Cb 0.40 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1tm5 n ALA 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tm5 s GLU 60 N -3.81 3.64 -0.25 0.00 1.03 -1.26 -5.08 118.70 112.97 1tm5 s GLU 60 Ca 0.62 -0.01 -0.06 0.00 0.03 0.00 0.00 54.97 55.55 1tm5 s GLU 60 Cb 0.49 -2.67 -0.01 0.00 -0.80 0.00 0.00 34.13 31.14 1tm5 s GLU 60 CO -0.03 0.25 0.03 -0.47 -1.33 0.00 0.00 175.26 173.70 1tm5 s TYR 61 N -2.03 3.05 -0.25 4.83 5.04 -1.26 -5.02 117.35 121.73 1tm5 s TYR 61 Ca 0.44 -0.79 0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1tm5 s TYR 61 Cb -0.11 -2.19 0.06 0.00 0.35 0.00 0.00 41.96 40.07 1tm5 s TYR 61 CO 0.29 -0.50 -0.09 1.03 -1.34 0.00 0.00 175.55 174.94 1tm5 s ARG 62 N 1.53 2.00 0.56 4.97 0.52 0.16 -5.00 118.95 123.69 1tm5 s ARG 62 Ca 0.05 -1.18 0.33 0.00 -0.52 0.00 0.00 55.73 54.41 1tm5 s ARG 62 Cb -0.15 -2.75 1.67 0.00 0.52 0.00 0.00 34.95 34.24 1tm5 s ARG 62 CO 0.00 -0.57 2.13 0.97 0.02 0.00 0.00 175.30 177.85 1tm5 h ILE 63 N 6.70 0.32 -0.00 1.52 2.10 -1.95 -2.21 117.51 124.00 1tm5 h ILE 63 Ca -0.19 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.35 1tm5 h ILE 63 Cb 1.06 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 1tm5 h ILE 63 CO 0.44 0.06 -0.45 0.47 -1.08 0.00 0.00 178.15 177.60 1tm5 n ASP 64 N -3.41 0.53 -4.88 2.19 8.00 -1.26 -4.70 116.55 113.03 1tm5 n ASP 64 Ca -0.02 -0.29 -0.34 0.00 0.71 0.00 0.00 54.79 54.85 1tm5 n ASP 64 Cb 0.21 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1tm5 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1tm5 s ARG 65 N -2.94 3.39 -0.20 -1.24 3.52 -0.84 -0.09 118.95 120.55 1tm5 s ARG 65 Ca 0.13 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1tm5 s ARG 65 Cb 0.18 -3.10 0.05 0.00 -1.56 0.00 0.00 34.95 30.53 1tm5 s ARG 65 CO 0.67 0.71 -0.03 0.08 -0.81 0.00 0.00 175.30 175.92 1tm5 s VAL 66 N -1.21 1.11 0.12 7.11 1.01 -0.64 -0.81 120.40 127.09 1tm5 s VAL 66 Ca 0.23 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1tm5 s VAL 66 Cb -0.12 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 1tm5 s VAL 66 CO 0.13 -0.07 0.86 -0.13 0.00 0.00 0.00 175.10 175.89 1tm5 s ARG 67 N 1.60 4.63 -0.25 2.72 0.52 -1.26 -2.09 118.95 124.81 1tm5 s ARG 67 Ca -0.03 1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 56.43 1tm5 s ARG 67 Cb -0.17 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 31.98 1tm5 s ARG 67 CO -0.07 0.36 -0.03 -0.51 0.02 0.00 0.00 175.30 175.07 1tm5 s LEU 68 N -0.46 3.29 -0.29 2.53 1.43 0.32 -4.46 118.68 121.03 1tm5 s LEU 68 Ca 0.41 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1tm5 s LEU 68 Cb -0.23 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1tm5 s LEU 68 CO 0.27 -0.13 0.39 -0.36 0.23 0.00 0.00 176.35 176.75 1tm5 s PHE 69 N 1.37 3.23 0.12 0.29 0.08 -1.26 -0.90 117.98 120.91 1tm5 s PHE 69 Ca 0.01 0.30 0.07 0.00 0.12 0.00 0.00 56.93 57.42 1tm5 s PHE 69 Cb -0.16 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 1tm5 s PHE 69 CO -0.03 -0.31 -0.06 0.14 -0.10 0.00 0.00 175.22 174.86 1tm5 s VAL 70 N 2.10 3.59 0.92 -0.44 -7.23 -0.21 -0.97 120.40 118.16 1tm5 s VAL 70 Ca 0.15 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.92 1tm5 s VAL 70 Cb -0.16 -2.71 0.21 0.00 0.56 0.00 0.00 36.38 34.28 1tm5 s VAL 70 CO 0.11 0.06 1.21 -0.90 -0.31 0.00 0.00 175.10 175.27 1tm5 n ASP 71 N 0.49 -0.08 0.00 4.85 5.68 -0.02 -0.64 116.55 126.82 1tm5 n ASP 71 Ca -0.12 -1.42 0.07 0.00 -0.50 0.00 0.00 54.79 52.82 1tm5 n ASP 71 Cb 0.53 -0.94 0.30 0.00 -1.14 0.00 0.00 41.12 39.86 1tm5 n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1tm5 n ARG 72 N -3.69 0.00 0.00 0.11 1.85 -1.26 -1.49 116.66 112.19 1tm5 n ARG 72 Ca 0.15 0.26 0.13 0.00 -1.00 0.00 0.00 57.85 57.40 1tm5 n ARG 72 Cb 0.53 -1.50 0.37 0.00 -1.05 0.00 0.00 32.46 30.81 1tm5 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tm5 n LEU 73 N -1.51 1.95 -1.14 2.89 4.77 -1.26 -4.96 117.00 117.75 1tm5 n LEU 73 Ca 0.03 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 1tm5 n LEU 73 Cb 0.16 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1tm5 n LEU 73 CO 0.13 0.33 -0.13 0.47 -1.33 0.00 0.00 177.39 176.86 1tm5 n ASP 74 N 0.48 -3.45 -4.89 -1.43 9.92 -0.55 -5.01 116.55 111.62 1tm5 n ASP 74 Ca 0.17 0.01 -0.28 0.00 -0.53 0.00 0.00 54.79 54.15 1tm5 n ASP 74 Cb 0.43 -2.65 -0.04 0.00 -0.64 0.00 0.00 41.12 38.22 1tm5 n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1tm5 s ASN 75 N -2.56 6.10 0.09 -2.24 0.01 -1.26 -1.50 114.94 113.57 1tm5 s ASN 75 Ca 0.00 0.12 -0.31 0.00 -0.71 0.00 0.00 52.86 51.96 1tm5 s ASN 75 Cb 0.00 -1.79 -0.07 0.00 0.41 0.00 0.00 41.25 39.81 1tm5 s ASN 75 CO 0.00 0.10 1.27 -0.63 -1.51 0.00 0.00 177.10 176.33 1tm5 s ILE 76 N -1.63 3.75 -0.36 0.60 -1.09 0.27 -0.84 121.20 121.90 1tm5 s ILE 76 Ca 0.33 1.27 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1tm5 s ILE 76 Cb -0.12 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1tm5 s ILE 76 CO 0.27 0.10 0.51 0.00 -1.23 0.00 0.00 174.94 174.59 1tm5 n ALA 77 N 3.85 2.47 -3.11 9.38 0.00 -0.15 -0.30 120.51 132.66 1tm5 n ALA 77 Ca 0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1tm5 n ALA 77 Cb 0.45 -0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 1tm5 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tm5 s GLN 78 N -0.47 0.57 -0.03 0.00 0.74 -1.25 -4.99 119.66 114.25 1tm5 s GLN 78 Ca 0.03 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.77 1tm5 s GLN 78 Cb 0.03 0.24 -0.07 0.00 1.10 0.00 0.00 33.01 34.31 1tm5 s GLN 78 CO 0.06 -0.15 1.91 0.08 -0.55 0.00 0.00 175.29 176.63 1tm5 s VAL 79 N -1.56 3.18 0.32 1.34 1.01 -1.26 -4.71 120.40 118.71 1tm5 s VAL 79 Ca -0.13 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1tm5 s VAL 79 Cb -0.06 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1tm5 s VAL 79 CO 0.02 -0.03 1.43 -2.84 0.00 0.00 0.00 175.10 173.67 1tm5 s PRO 80 N 4.59 4.24 0.04 2.72 0.02 -1.26 -4.87 135.00 140.48 1tm5 s PRO 80 Ca 0.85 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 64.21 1tm5 s PRO 80 Cb -0.39 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 1tm5 s PRO 80 CO 0.38 -0.40 0.07 -0.98 -0.33 0.00 0.00 177.00 175.74 1tm5 s ARG 81 N -1.33 0.58 0.31 5.54 1.70 -1.26 -0.91 118.95 123.58 1tm5 s ARG 81 Ca 0.55 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 1tm5 s ARG 81 Cb -0.43 0.22 -0.10 0.00 -0.57 0.00 0.00 34.95 34.07 1tm5 s ARG 81 CO 0.52 -0.14 1.26 0.08 -1.08 0.00 0.00 175.30 175.95 1tm5 s VAL 82 N -2.75 2.90 0.00 4.99 1.01 -0.18 -4.15 120.40 122.22 1tm5 s VAL 82 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1tm5 s VAL 82 Cb -0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tm5 s VAL 82 CO -0.05 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.87