#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt7 s GLU 22 N 0.00 3.83 0.08 3.44 2.02 -1.26 -4.60 118.70 122.20 2qt7 s GLU 22 Ca 0.00 1.14 0.05 0.00 0.02 0.00 0.00 54.97 56.18 2qt7 s GLU 22 Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2qt7 s GLU 22 CO 0.00 -0.38 -0.14 0.71 0.02 0.00 0.00 175.26 175.46 2qt7 s TYR 23 N -2.35 1.25 0.39 1.61 2.02 0.09 -4.84 117.35 115.51 2qt7 s TYR 23 Ca 0.62 -0.48 -0.22 0.00 -0.37 0.00 0.00 57.07 56.62 2qt7 s TYR 23 Cb -0.13 -0.69 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 2qt7 s TYR 23 CO 0.26 0.07 0.93 0.20 -1.57 0.00 0.00 175.55 175.44 2qt7 s GLY 24 N -1.88 2.50 0.01 0.71 0.00 0.46 -0.68 107.32 108.43 2qt7 s GLY 24 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 2qt7 s GLY 24 CO 0.02 0.72 0.09 -2.52 0.00 0.00 0.00 173.10 171.41 2qt7 s TYR 25 N -2.00 0.10 -0.18 1.90 1.13 0.20 -1.78 117.35 116.71 2qt7 s TYR 25 Ca 0.58 -0.24 0.00 0.00 -1.41 0.00 0.00 57.07 56.01 2qt7 s TYR 25 Cb -0.12 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.70 2qt7 s TYR 25 CO 0.16 -0.26 -0.09 0.42 -2.51 0.00 0.00 175.55 173.27 2qt7 s ILE 26 N -1.39 1.48 -0.22 -3.49 1.01 -0.20 -1.56 121.20 116.84 2qt7 s ILE 26 Ca -0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 2qt7 s ILE 26 Cb -0.08 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2qt7 s ILE 26 CO 0.01 0.20 0.15 -0.69 0.00 0.00 0.00 174.94 174.61 2qt7 s VAL 27 N 1.48 5.38 0.55 2.92 1.01 0.49 -0.75 120.40 131.48 2qt7 s VAL 27 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2qt7 s VAL 27 Cb -0.15 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2qt7 s VAL 27 CO -0.08 0.40 0.29 0.35 0.00 0.00 0.00 175.10 176.05 2qt7 n THR 28 N 3.86 0.00 -0.30 3.92 -2.24 -0.25 0.09 114.28 119.35 2qt7 n THR 28 Ca -0.15 -2.29 -0.01 0.00 -2.27 0.00 0.00 64.05 59.33 2qt7 n THR 28 Cb 0.52 0.14 0.23 0.00 -2.10 0.00 0.00 70.33 69.12 2qt7 n THR 28 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qt7 n ASP 29 N -1.67 3.96 -4.87 3.42 5.75 -0.49 -4.76 116.55 117.88 2qt7 n ASP 29 Ca -0.08 -2.72 -0.33 0.00 -0.01 0.00 0.00 54.79 51.64 2qt7 n ASP 29 Cb 0.64 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 2qt7 n ASP 29 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2qt7 s GLN 30 N -2.16 3.76 -0.37 0.11 -1.52 -1.26 -4.93 119.66 113.29 2qt7 s GLN 30 Ca 0.36 0.17 0.02 0.00 -1.95 0.00 0.00 55.36 53.95 2qt7 s GLN 30 Cb 0.28 -2.89 0.15 0.00 -0.22 0.00 0.00 33.01 30.33 2qt7 s GLN 30 CO 0.10 0.48 0.29 0.21 -0.25 0.00 0.00 175.29 176.12 2qt7 s LYS 31 N -2.26 0.63 0.63 2.91 2.20 -1.26 -3.82 119.74 118.77 2qt7 s LYS 31 Ca 0.38 -1.31 -0.03 0.00 -0.36 0.00 0.00 55.97 54.65 2qt7 s LYS 31 Cb -0.13 -1.12 0.05 0.00 -1.51 0.00 0.00 37.83 35.11 2qt7 s LYS 31 CO 0.20 -1.24 0.90 -1.25 -0.36 0.00 0.00 175.35 173.60 2qt7 s PRO 32 N 1.02 2.40 0.05 4.03 0.04 -1.26 -5.09 135.00 136.18 2qt7 s PRO 32 Ca 0.20 -0.48 -0.31 0.00 0.04 0.00 0.00 61.00 60.45 2qt7 s PRO 32 Cb -0.17 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 2qt7 s PRO 32 CO -0.03 -0.96 1.33 -1.17 0.04 0.00 0.00 177.00 176.21 2qt7 s LEU 33 N -5.01 4.34 0.35 -3.56 2.96 -0.52 -4.99 118.68 112.25 2qt7 s LEU 33 Ca 0.58 2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 56.36 2qt7 s LEU 33 Cb -0.11 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 2qt7 s LEU 33 CO 0.42 -0.63 1.06 -0.94 -1.32 0.00 0.00 176.35 174.94 2qt7 s SER 34 N 1.41 7.00 0.19 3.68 1.04 -1.26 -4.88 113.70 120.88 2qt7 s SER 34 Ca 0.62 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 59.05 2qt7 s SER 34 Cb -0.32 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.37 2qt7 s SER 34 CO 0.28 -0.32 1.82 0.25 0.98 0.00 0.00 173.24 176.25 2qt7 h LEU 35 N 3.07 0.56 -0.58 2.42 5.85 -1.96 -0.26 115.31 124.41 2qt7 h LEU 35 Ca -0.47 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.26 2qt7 h LEU 35 Cb 1.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2qt7 h LEU 35 CO 0.64 0.39 0.39 0.00 -0.34 0.00 0.00 178.44 179.51 2qt7 h ALA 36 N 1.29 0.74 -0.67 1.25 0.00 -1.99 -1.10 119.26 118.78 2qt7 h ALA 36 Ca 0.25 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2qt7 h ALA 36 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qt7 h ALA 36 CO -0.13 0.17 0.09 0.00 0.00 0.00 0.00 179.25 179.39 2qt7 h ALA 37 N 1.22 0.90 -0.35 0.00 0.00 -1.86 -1.09 119.26 118.08 2qt7 h ALA 37 Ca 0.22 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qt7 h ALA 37 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2qt7 h ALA 37 CO -0.05 0.67 0.17 0.78 0.00 0.00 0.00 179.25 180.82 2qt7 h GLY 38 N 1.04 0.47 2.00 0.00 0.00 -0.56 -1.36 103.07 104.66 2qt7 h GLY 38 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2qt7 h GLY 38 CO 0.02 0.09 -0.11 -0.39 0.00 0.00 0.00 176.54 176.14 2qt7 h VAL 39 N 0.35 0.22 -0.52 4.60 -1.51 -1.07 -2.28 116.25 116.04 2qt7 h VAL 39 Ca 0.15 -1.07 -0.10 0.00 -1.23 0.00 0.00 66.70 64.45 2qt7 h VAL 39 Cb 0.06 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 2qt7 h VAL 39 CO -0.10 0.11 -0.07 0.50 -1.23 0.00 0.00 177.57 176.78 2qt7 h LYS 40 N 0.00 0.94 -0.48 5.19 3.64 -0.78 0.17 116.57 125.24 2qt7 h LYS 40 Ca -0.00 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2qt7 h LYS 40 Cb 0.89 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2qt7 h LYS 40 CO 0.01 0.97 0.24 -0.07 -2.27 0.00 0.00 179.45 178.34 2qt7 h LEU 41 N 0.85 0.35 -1.10 5.20 3.38 -0.72 -1.95 115.31 121.32 2qt7 h LEU 41 Ca 0.14 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2qt7 h LEU 41 Cb 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2qt7 h LEU 41 CO 0.04 0.24 0.08 -0.07 0.09 0.00 0.00 178.44 178.82 2qt7 h LEU 42 N 0.48 0.67 -0.30 1.67 3.38 -1.08 -1.08 115.31 119.04 2qt7 h LEU 42 Ca 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qt7 h LEU 42 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qt7 h LEU 42 CO -0.15 0.69 0.14 -0.08 0.09 0.00 0.00 178.44 179.14 2qt7 h GLU 43 N 0.69 0.44 -0.38 1.13 4.57 -0.34 0.25 114.58 120.92 2qt7 h GLU 43 Ca 0.15 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 2qt7 h GLU 43 Cb 0.31 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2qt7 h GLU 43 CO 0.00 0.41 -0.25 0.82 -1.18 0.00 0.00 179.01 178.82 2qt7 h ILE 44 N 0.35 1.27 -0.39 2.32 2.04 -1.18 -1.36 117.51 120.57 2qt7 h ILE 44 Ca 0.10 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 2qt7 h ILE 44 Cb 0.12 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2qt7 h ILE 44 CO -0.01 0.46 0.07 0.25 0.00 0.00 0.00 178.15 178.91 2qt7 h LEU 45 N 0.68 0.62 -0.60 1.44 5.85 -1.02 -2.12 115.31 120.15 2qt7 h LEU 45 Ca 0.09 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2qt7 h LEU 45 Cb 0.77 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2qt7 h LEU 45 CO 0.06 0.72 0.38 0.00 -0.34 0.00 0.00 178.44 179.26 2qt7 h ALA 46 N 0.92 0.77 -0.75 1.25 0.00 -0.27 -1.12 119.26 120.06 2qt7 h ALA 46 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qt7 h ALA 46 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2qt7 h ALA 46 CO 0.01 0.14 0.47 0.93 0.00 0.00 0.00 179.25 180.80 2qt7 h GLU 47 N 0.76 1.00 -0.57 0.00 5.08 -1.14 -0.42 114.58 119.29 2qt7 h GLU 47 Ca 0.23 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2qt7 h GLU 47 Cb -0.03 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 2qt7 h GLU 47 CO -0.08 0.69 0.02 1.25 -1.00 0.00 0.00 179.01 179.89 2qt7 h HIS 48 N 1.02 1.05 -0.02 4.33 2.76 -0.75 -3.01 115.15 120.53 2qt7 h HIS 48 Ca 0.27 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2qt7 h HIS 48 Cb -0.07 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.61 2qt7 h HIS 48 CO -0.01 0.93 -0.00 1.33 -1.30 0.00 0.00 177.93 178.87 2qt7 n VAL 49 N -4.19 0.00 -3.28 5.26 0.24 -0.48 -4.96 118.33 110.91 2qt7 n VAL 49 Ca 0.03 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 2qt7 n VAL 49 Cb 0.32 0.78 0.08 0.00 -1.47 0.00 0.00 33.84 33.55 2qt7 n VAL 49 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2qt7 n HIS 50 N 0.49 -2.15 -4.15 6.34 -0.00 -0.25 -5.04 115.22 110.46 2qt7 n HIS 50 Ca 0.18 0.86 -0.15 0.00 -0.00 0.00 0.00 57.72 58.61 2qt7 n HIS 50 Cb 0.42 -4.62 -0.11 0.00 -0.00 0.00 0.00 29.99 25.68 2qt7 n HIS 50 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2qt7 s MET 51 N -4.96 0.76 0.31 -0.41 -2.45 -0.71 -4.98 119.30 106.87 2qt7 s MET 51 Ca 0.14 -1.02 -0.29 0.00 -1.25 0.00 0.00 55.69 53.27 2qt7 s MET 51 Cb -0.02 -0.53 -0.10 0.00 1.25 0.00 0.00 34.83 35.43 2qt7 s MET 51 CO 0.69 0.09 1.29 0.45 1.05 0.00 0.00 175.02 178.59 2qt7 s SER 52 N -2.09 6.83 0.51 1.11 0.15 -1.26 -4.29 113.70 114.66 2qt7 s SER 52 Ca 0.00 2.62 0.34 0.00 0.70 0.00 0.00 55.95 59.61 2qt7 s SER 52 Cb -0.06 -2.64 1.52 0.00 -1.71 0.00 0.00 66.02 63.12 2qt7 s SER 52 CO 0.00 -0.50 2.00 0.77 1.20 0.00 0.00 173.24 176.72 2qt7 h SER 53 N 3.64 0.00 0.29 5.45 4.64 -1.90 -0.89 113.55 124.78 2qt7 h SER 53 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qt7 h SER 53 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2qt7 h SER 53 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2qt7 n GLY 54 N -0.29 -1.04 0.03 -0.77 0.00 -1.26 -1.54 105.19 100.33 2qt7 n GLY 54 Ca -0.00 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2qt7 n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qt7 n SER 55 N -2.28 0.23 -4.64 1.61 7.64 -0.34 -4.58 113.62 111.27 2qt7 n SER 55 Ca -0.00 0.53 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 2qt7 n SER 55 Cb 0.11 -0.59 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 2qt7 n SER 55 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2qt7 s PHE 56 N -3.06 3.30 0.31 1.43 0.08 -0.59 -0.26 117.98 119.20 2qt7 s PHE 56 Ca 0.10 1.04 0.05 0.00 0.12 0.00 0.00 56.93 58.24 2qt7 s PHE 56 Cb 0.14 -2.99 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 2qt7 s PHE 56 CO 0.45 -0.38 0.02 0.96 -0.10 0.00 0.00 175.22 176.17 2qt7 s ILE 57 N 2.75 1.31 -1.37 0.64 -4.36 -0.33 -4.83 121.20 115.02 2qt7 s ILE 57 Ca 0.32 -2.03 -0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2qt7 s ILE 57 Cb -0.15 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.91 2qt7 s ILE 57 CO 0.08 -0.11 0.89 0.59 0.24 0.00 0.00 174.94 176.63 2qt7 n ASN 58 N -0.65 -3.07 -4.74 4.36 3.02 -1.26 -0.30 115.26 112.63 2qt7 n ASN 58 Ca -0.03 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.37 2qt7 n ASN 58 Cb 0.66 -4.27 -0.05 0.00 -0.61 0.00 0.00 39.78 35.51 2qt7 n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qt7 s ILE 59 N -3.47 4.79 -0.01 2.41 1.01 -1.26 -4.24 121.20 120.42 2qt7 s ILE 59 Ca 0.28 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.52 2qt7 s ILE 59 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2qt7 s ILE 59 CO 0.80 0.33 0.08 -0.44 0.00 0.00 0.00 174.94 175.71 2qt7 s SER 60 N 0.14 0.01 -0.20 3.58 0.01 -0.56 -5.01 113.70 111.68 2qt7 s SER 60 Ca 0.39 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.50 2qt7 s SER 60 Cb -0.20 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 2qt7 s SER 60 CO 0.23 -0.20 0.04 0.68 0.41 0.00 0.00 173.24 174.39 2qt7 s VAL 61 N -0.74 4.39 -0.19 3.43 -7.23 -1.26 -0.52 120.40 118.27 2qt7 s VAL 61 Ca -0.08 -0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.91 2qt7 s VAL 61 Cb -0.05 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.96 2qt7 s VAL 61 CO 0.00 0.43 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.51 2qt7 s VAL 62 N 0.78 1.02 0.00 1.32 1.01 0.66 -4.99 120.40 120.20 2qt7 s VAL 62 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2qt7 s VAL 62 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2qt7 s VAL 62 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2qt7 n GLY 63 N 4.88 3.59 0.22 4.51 0.00 -1.26 -0.81 105.19 116.32 2qt7 n GLY 63 Ca -0.11 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.14 2qt7 n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qt7 n PRO 64 N 14.00 1.17 -4.27 1.61 -0.04 -1.25 -1.44 135.00 144.78 2qt7 n PRO 64 Ca 0.00 -0.45 -0.35 0.00 -0.04 0.00 0.00 63.50 62.66 2qt7 n PRO 64 Cb 0.00 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 2qt7 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qt7 s ALA 65 N -2.14 3.40 -0.21 0.55 0.00 0.01 -1.09 121.76 122.27 2qt7 s ALA 65 Ca 0.38 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2qt7 s ALA 65 Cb 0.21 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2qt7 s ALA 65 CO 0.39 0.60 0.16 -1.17 0.00 0.00 0.00 175.76 175.74 2qt7 s LEU 66 N -1.01 4.17 0.11 0.00 2.96 0.07 -0.24 118.68 124.74 2qt7 s LEU 66 Ca 0.15 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 2qt7 s LEU 66 Cb -0.11 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2qt7 s LEU 66 CO 0.04 0.12 -0.22 0.42 -1.32 0.00 0.00 176.35 175.39 2qt7 s THR 67 N 0.68 1.86 0.05 3.68 -4.23 0.32 -1.03 115.64 116.96 2qt7 s THR 67 Ca 0.09 -1.62 -0.28 0.00 -1.18 0.00 0.00 61.69 58.70 2qt7 s THR 67 Cb -0.12 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.12 2qt7 s THR 67 CO 0.01 -0.03 0.92 0.72 -0.54 0.00 0.00 174.62 175.70 2qt7 s PHE 68 N -1.18 -0.27 0.48 3.99 -0.12 -0.73 -1.50 117.98 118.65 2qt7 s PHE 68 Ca 0.09 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.08 2qt7 s PHE 68 Cb -0.10 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2qt7 s PHE 68 CO 0.05 -0.63 0.09 1.03 -0.05 0.00 0.00 175.22 175.70 2qt7 s ARG 69 N -3.16 2.16 -0.05 1.99 0.52 0.59 -0.40 118.95 120.59 2qt7 s ARG 69 Ca 0.08 -2.20 0.04 0.00 -0.52 0.00 0.00 55.73 53.12 2qt7 s ARG 69 Cb -0.01 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2qt7 s ARG 69 CO -0.05 -0.30 -0.17 0.42 0.02 0.00 0.00 175.30 175.22 2qt7 s ILE 70 N -2.79 1.42 0.65 1.52 1.01 -1.26 -1.19 121.20 120.57 2qt7 s ILE 70 Ca 0.21 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2qt7 s ILE 70 Cb 0.03 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2qt7 s ILE 70 CO 0.12 0.41 1.05 -0.60 0.00 0.00 0.00 174.94 175.92 2qt7 s ARG 71 N 0.22 3.22 0.28 2.79 3.52 0.65 -4.94 118.95 124.68 2qt7 s ARG 71 Ca -0.08 0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 56.17 2qt7 s ARG 71 Cb -0.13 -2.03 -0.13 0.00 -1.56 0.00 0.00 34.95 31.10 2qt7 s ARG 71 CO 0.03 -0.87 1.35 -2.39 -0.81 0.00 0.00 175.30 172.61 2qt7 n HIS 72 N -2.75 2.16 -3.97 5.12 -0.00 -1.26 -4.98 115.22 109.54 2qt7 n HIS 72 Ca 0.07 0.48 -0.09 0.00 -0.00 0.00 0.00 57.72 58.19 2qt7 n HIS 72 Cb 0.54 -2.44 -0.10 0.00 -0.00 0.00 0.00 29.99 27.99 2qt7 n HIS 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2qt7 s ASN 73 N 0.05 0.25 0.43 4.39 4.22 -1.26 -5.06 114.94 117.96 2qt7 s ASN 73 Ca 0.63 -0.60 0.09 0.00 -2.14 0.00 0.00 52.86 50.85 2qt7 s ASN 73 Cb -0.62 0.19 0.94 0.00 1.28 0.00 0.00 41.25 43.04 2qt7 s ASN 73 CO 0.54 -0.46 2.06 -0.33 -2.04 0.00 0.00 177.10 176.87 2qt7 h GLU 74 N 3.86 0.38 -0.01 3.55 4.39 -1.96 -1.56 114.58 123.24 2qt7 h GLU 74 Ca -0.33 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2qt7 h GLU 74 Cb 1.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2qt7 h GLU 74 CO 0.50 0.28 -0.05 1.04 -1.16 0.00 0.00 179.01 179.63 2qt7 n GLN 75 N -4.47 1.18 -3.50 2.33 6.02 -1.26 -4.94 117.38 112.74 2qt7 n GLN 75 Ca 0.01 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.00 56.33 2qt7 n GLN 75 Cb 0.09 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 29.94 2qt7 n GLN 75 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qt7 n ASN 76 N -0.48 -2.26 -4.67 1.08 5.15 -0.59 -4.96 115.26 108.54 2qt7 n ASN 76 Ca 0.19 -0.65 -0.42 0.00 -0.60 0.00 0.00 54.58 53.09 2qt7 n ASN 76 Cb 0.27 -4.89 -0.04 0.00 -0.53 0.00 0.00 39.78 34.59 2qt7 n ASN 76 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qt7 s LEU 77 N -6.51 4.16 0.65 1.20 1.43 -1.26 -5.05 118.68 113.30 2qt7 s LEU 77 Ca 0.06 1.24 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2qt7 s LEU 77 Cb -0.03 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.96 2qt7 s LEU 77 CO 0.75 -0.46 0.91 -0.94 0.23 0.00 0.00 176.35 176.83 2qt7 s SER 78 N 1.18 4.74 0.23 2.29 1.04 -1.26 -4.88 113.70 117.04 2qt7 s SER 78 Ca 0.40 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.58 2qt7 s SER 78 Cb -0.16 -0.42 0.23 0.00 0.10 0.00 0.00 66.02 65.77 2qt7 s SER 78 CO 0.11 -1.57 1.88 -0.07 0.98 0.00 0.00 173.24 174.58 2qt7 h LEU 79 N -0.30 0.89 -0.40 2.42 3.38 -1.97 -1.55 115.31 117.79 2qt7 h LEU 79 Ca -0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qt7 h LEU 79 Cb 1.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2qt7 h LEU 79 CO 0.46 0.62 0.24 0.00 0.09 0.00 0.00 178.44 179.86 2qt7 h ALA 80 N 1.33 0.51 -0.03 1.53 0.00 -1.94 -1.62 119.26 119.04 2qt7 h ALA 80 Ca 0.32 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2qt7 h ALA 80 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2qt7 h ALA 80 CO -0.10 0.01 -0.15 -0.44 0.00 0.00 0.00 179.25 178.56 2qt7 h ASP 81 N 0.53 -0.44 0.26 0.00 3.32 -1.85 -0.90 116.42 117.34 2qt7 h ASP 81 Ca 0.14 0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 2qt7 h ASP 81 Cb 0.00 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2qt7 h ASP 81 CO -0.03 -0.20 -0.70 -0.37 -1.72 0.00 0.00 179.24 176.22 2qt7 h VAL 82 N -0.23 1.38 -0.16 -1.35 -1.51 -1.20 -1.10 116.25 112.07 2qt7 h VAL 82 Ca 0.06 -2.10 -0.15 0.00 -1.23 0.00 0.00 66.70 63.28 2qt7 h VAL 82 Cb 0.31 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2qt7 h VAL 82 CO -0.17 0.63 -0.52 0.71 -1.23 0.00 0.00 177.57 177.00 2qt7 h THR 83 N 0.27 1.33 -0.39 7.19 1.35 -1.26 0.71 112.91 122.11 2qt7 h THR 83 Ca -0.02 -1.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 2qt7 h THR 83 Cb 1.26 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 2qt7 h THR 83 CO 0.12 0.54 0.18 1.56 -0.25 0.00 0.00 175.52 177.67 2qt7 h GLN 84 N 0.36 0.56 -0.64 4.72 4.20 -1.03 -1.87 115.11 121.41 2qt7 h GLN 84 Ca 0.01 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 2qt7 h GLN 84 Cb 1.03 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 2qt7 h GLN 84 CO 0.09 0.50 0.10 1.96 -0.67 0.00 0.00 178.83 180.81 2qt7 h GLN 85 N 0.48 1.06 -0.93 1.46 1.08 -0.95 -1.69 115.11 115.62 2qt7 h GLN 85 Ca 0.13 -0.28 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2qt7 h GLN 85 Cb 0.12 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.36 2qt7 h GLN 85 CO -0.02 0.97 0.59 0.00 -0.95 0.00 0.00 178.83 179.43 2qt7 h ALA 86 N 1.11 1.29 -0.45 3.87 0.00 -0.67 -0.87 119.26 123.55 2qt7 h ALA 86 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qt7 h ALA 86 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qt7 h ALA 86 CO 0.01 0.36 0.23 0.78 0.00 0.00 0.00 179.25 180.64 2qt7 h GLY 87 N 1.07 0.68 1.04 0.00 0.00 -0.82 -1.73 103.07 103.32 2qt7 h GLY 87 Ca 0.41 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2qt7 h GLY 87 CO -0.18 0.31 0.33 1.41 0.00 0.00 0.00 176.54 178.41 2qt7 h LEU 88 N 0.59 1.05 -3.60 3.11 3.38 -0.55 -3.03 115.31 116.26 2qt7 h LEU 88 Ca 0.16 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2qt7 h LEU 88 Cb 0.08 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.44 2qt7 h LEU 88 CO -0.02 0.93 0.19 1.33 0.09 0.00 0.00 178.44 180.95 2qt7 n VAL 89 N -4.32 2.77 -0.12 1.22 0.24 -0.40 -4.73 118.33 112.99 2qt7 n VAL 89 Ca 0.07 -1.92 0.06 0.00 -2.04 0.00 0.00 64.34 60.51 2qt7 n VAL 89 Cb 0.17 -0.34 0.38 0.00 -1.47 0.00 0.00 33.84 32.58 2qt7 n VAL 89 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2qt7 h LYS 90 N 2.06 0.65 -0.69 7.34 2.10 -1.19 -1.48 116.57 125.37 2qt7 h LYS 90 Ca 0.24 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 2qt7 h LYS 90 Cb 2.09 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 33.25 2qt7 h LYS 90 CO 0.61 0.43 0.18 0.77 -2.00 0.00 0.00 179.45 179.44 2qt7 h SER 91 N 0.67 1.03 -0.24 7.07 0.02 -1.86 0.13 113.55 120.38 2qt7 h SER 91 Ca 0.26 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2qt7 h SER 91 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2qt7 h SER 91 CO -0.08 0.98 0.13 -0.08 -1.14 0.00 0.00 176.83 176.64 2qt7 h GLU 92 N 1.04 0.33 -0.30 3.45 4.81 -1.71 -1.50 114.58 120.70 2qt7 h GLU 92 Ca 0.22 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2qt7 h GLU 92 Cb 0.34 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2qt7 h GLU 92 CO -0.00 0.31 0.13 -0.07 -0.73 0.00 0.00 179.01 178.66 2qt7 h LEU 93 N 0.27 0.18 -0.20 1.64 3.38 -0.71 -3.08 115.31 116.79 2qt7 h LEU 93 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qt7 h LEU 93 Cb 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qt7 h LEU 93 CO -0.01 0.14 0.07 -0.33 0.09 0.00 0.00 178.44 178.40 2qt7 h GLU 94 N 0.29 0.31 -0.71 1.13 5.08 -0.70 -2.90 114.58 117.08 2qt7 h GLU 94 Ca 0.13 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.63 2qt7 h GLU 94 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qt7 h GLU 94 CO -0.11 0.40 0.51 0.00 -1.00 0.00 0.00 179.01 178.81 2qt7 h ALA 95 N 0.90 2.64 0.00 3.43 0.00 -1.18 -1.83 119.26 123.22 2qt7 h ALA 95 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qt7 h ALA 95 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qt7 h ALA 95 CO -0.00 -0.84 -1.19 1.04 0.00 0.00 0.00 179.25 178.26 2qt7 n GLN 96 N -4.33 0.20 0.00 0.00 6.02 -1.16 -4.55 117.38 113.56 2qt7 n GLN 96 Ca 0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2qt7 n GLN 96 Cb 0.76 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.50 2qt7 n GLN 96 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qt7 n THR 97 N -1.76 0.00 -3.32 5.09 -2.24 -0.73 -5.03 114.28 106.29 2qt7 n THR 97 Ca 0.02 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.14 2qt7 n THR 97 Cb 0.40 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.73 2qt7 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt7 n GLY 98 N 0.15 -0.30 3.77 3.38 0.00 -0.95 -4.97 105.19 106.26 2qt7 n GLY 98 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2qt7 n GLY 98 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qt7 s LEU 99 N -6.03 -0.12 -0.01 0.99 0.05 -1.25 -5.09 118.68 107.21 2qt7 s LEU 99 Ca 0.03 -0.65 0.04 0.00 0.05 0.00 0.00 54.13 53.59 2qt7 s LEU 99 Cb -0.01 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 2qt7 s LEU 99 CO 0.67 -1.28 -0.11 -1.10 -0.55 0.00 0.00 176.35 173.99 2qt7 s GLN 100 N -3.93 2.48 -0.25 1.48 -1.52 -1.26 -4.54 119.66 112.12 2qt7 s GLN 100 Ca 0.13 -0.74 -0.10 0.00 -1.95 0.00 0.00 55.36 52.70 2qt7 s GLN 100 Cb -0.04 -2.42 -0.05 0.00 -0.22 0.00 0.00 33.01 30.27 2qt7 s GLN 100 CO 0.06 0.61 0.16 0.42 -0.25 0.00 0.00 175.29 176.29 2qt7 s ILE 101 N -0.89 5.31 -0.16 1.08 1.01 -1.26 -1.39 121.20 124.90 2qt7 s ILE 101 Ca 0.15 0.16 0.10 0.00 0.00 0.00 0.00 60.65 61.06 2qt7 s ILE 101 Cb -0.11 -3.48 -0.17 0.00 0.01 0.00 0.00 42.46 38.71 2qt7 s ILE 101 CO 0.04 0.33 -0.00 0.18 0.00 0.00 0.00 174.94 175.49 2qt7 n LEU 102 N 4.42 0.75 -3.77 2.97 4.77 0.11 -4.99 117.00 121.27 2qt7 n LEU 102 Ca -0.15 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 2qt7 n LEU 102 Cb 0.52 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 2qt7 n LEU 102 CO 0.35 0.48 0.00 -1.10 -1.33 0.00 0.00 177.39 175.78 2qt7 s GLN 103 N -2.36 0.66 0.02 3.23 -0.21 -1.07 -5.00 119.66 114.92 2qt7 s GLN 103 Ca -0.12 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.04 2qt7 s GLN 103 Cb 0.05 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 34.34 2qt7 s GLN 103 CO 0.56 -0.18 -0.07 0.95 -2.12 0.00 0.00 175.29 174.42 2qt7 s THR 104 N -1.44 0.56 0.00 -0.19 -4.23 -1.26 -0.37 115.64 108.70 2qt7 s THR 104 Ca -0.13 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2qt7 s THR 104 Cb -0.05 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.26 2qt7 s THR 104 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2qt7 n GLY 105 N 2.32 0.80 2.99 3.99 0.00 -0.60 -4.98 105.19 109.71 2qt7 n GLY 105 Ca -0.17 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 2qt7 n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt7 s VAL 106 N -2.13 0.58 0.03 1.61 1.01 -1.26 -0.63 120.40 119.61 2qt7 s VAL 106 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2qt7 s VAL 106 Cb 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 35.98 2qt7 s VAL 106 CO 0.00 0.17 1.23 -0.83 0.00 0.00 0.00 175.10 175.67 2qt7 s GLY 107 N -0.06 -0.13 0.85 4.51 0.00 0.14 -4.96 107.32 107.67 2qt7 s GLY 107 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 2qt7 s GLY 107 CO -0.00 3.79 1.11 1.20 0.00 0.00 0.00 173.10 179.20 2qt7 s GLN 108 N -2.16 1.57 0.00 2.90 1.11 -1.26 -0.73 119.66 121.10 2qt7 s GLN 108 Ca 0.25 1.30 0.00 0.00 0.01 0.00 0.00 55.36 56.92 2qt7 s GLN 108 Cb 0.00 -1.81 0.00 0.00 -1.01 0.00 0.00 33.01 30.19 2qt7 s GLN 108 CO 0.00 -2.16 0.04 2.89 0.01 0.00 0.00 175.29 176.07