#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6q s LEU 8 N 0.00 4.31 -0.48 5.87 1.43 -1.26 -5.07 118.68 123.49 1r6q s LEU 8 Ca 0.00 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1r6q s LEU 8 Cb 0.00 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.43 1r6q s LEU 8 CO 0.00 0.15 0.25 -0.62 0.23 0.00 0.00 176.35 176.36 1r6q s ASP 9 N -2.63 4.96 0.53 2.29 2.15 -1.26 -4.99 116.67 117.71 1r6q s ASP 9 Ca 0.35 -2.49 0.25 0.00 0.43 0.00 0.00 52.55 51.09 1r6q s ASP 9 Cb -0.13 -1.76 1.40 0.00 -0.30 0.00 0.00 42.92 42.13 1r6q s ASP 9 CO 0.28 -0.40 1.99 -0.26 -0.17 0.00 0.00 175.17 176.61 1r6q h PHE 10 N 7.35 0.01 -0.80 -5.34 0.04 -2.01 -2.12 116.94 114.06 1r6q h PHE 10 Ca -0.07 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.22 1r6q h PHE 10 Cb 0.98 -0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.87 1r6q h PHE 10 CO 0.57 0.00 0.37 -0.40 -0.60 0.00 0.00 178.31 178.25 1r6q n ASP 11 N -4.38 4.59 -2.66 2.17 5.75 -1.26 -4.60 116.55 116.16 1r6q n ASP 11 Ca 0.10 -3.72 -0.04 0.00 -0.01 0.00 0.00 54.79 51.11 1r6q n ASP 11 Cb 0.62 -0.77 0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1r6q n ASP 11 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1r6q n GLN 12 N -1.04 0.07 0.00 0.11 0.00 -0.80 -5.33 117.38 110.39 1r6q n GLN 12 Ca 0.52 -0.62 0.00 0.00 -0.00 0.00 0.00 57.00 56.90 1r6q n GLN 12 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 30.24 31.27 1r6q n GLN 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1r6q n LEU 13 N 1.54 0.00 0.00 1.69 4.77 -1.21 -4.66 117.00 119.14 1r6q n LEU 13 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1r6q n LEU 13 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1r6q n LEU 13 CO -0.15 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.38 1r6q n ASP 20 N 0.00 0.00 -4.77 -1.43 8.00 -1.26 -5.07 116.55 112.02 1r6q n ASP 20 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1r6q n ASP 20 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1r6q n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r6q s ALA 21 N -0.75 2.83 -0.12 2.24 0.00 -1.26 -5.04 121.76 119.66 1r6q s ALA 21 Ca 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1r6q s ALA 21 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1r6q s ALA 21 CO 0.00 -0.71 -0.02 -0.51 0.00 0.00 0.00 175.76 174.52 1r6q s LEU 22 N -3.41 3.40 -0.03 0.00 1.43 -1.26 -5.10 118.68 113.71 1r6q s LEU 22 Ca 0.68 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1r6q s LEU 22 Cb -0.26 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1r6q s LEU 22 CO 0.31 0.26 -0.20 -0.54 0.23 0.00 0.00 176.35 176.41 1r6q s LYS 23 N -0.20 2.30 0.72 1.70 1.02 -1.26 -5.12 119.74 118.91 1r6q s LYS 23 Ca 0.04 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 1r6q s LYS 23 Cb -0.13 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1r6q s LYS 23 CO 0.02 0.59 1.15 -2.14 -0.92 0.00 0.00 175.35 174.05 1r6q s PRO 24 N -0.66 2.32 0.55 -1.68 0.02 -1.26 -4.98 135.00 129.31 1r6q s PRO 24 Ca 0.11 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.43 1r6q s PRO 24 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1r6q s PRO 24 CO -0.00 -1.65 1.33 -2.14 -0.33 0.00 0.00 177.00 174.21 1r6q s PRO 25 N -4.16 3.15 0.66 5.54 0.02 -1.26 -4.99 135.00 133.96 1r6q s PRO 25 Ca 0.69 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.76 1r6q s PRO 25 Cb -0.24 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1r6q s PRO 25 CO 0.46 -1.16 1.05 -1.12 -0.33 0.00 0.00 177.00 175.90 1r6q s SER 26 N -1.06 5.74 0.53 2.53 0.01 -1.26 -4.91 113.70 115.28 1r6q s SER 26 Ca 0.72 1.51 -0.12 0.00 1.31 0.00 0.00 55.95 59.37 1r6q s SER 26 Cb -0.39 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.33 1r6q s SER 26 CO 0.45 -1.20 0.93 -0.04 0.41 0.00 0.00 173.24 173.79 1r6q s MET 27 N -5.11 3.73 -0.01 12.44 -1.94 -1.26 -3.21 119.30 123.92 1r6q s MET 27 Ca 0.57 0.67 0.04 0.00 -1.71 0.00 0.00 55.69 55.25 1r6q s MET 27 Cb -0.13 -2.20 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 1r6q s MET 27 CO 0.54 -0.32 -0.13 0.71 -0.01 0.00 0.00 175.02 175.81 1r6q s TYR 28 N -2.79 1.19 0.17 -0.03 1.51 0.21 -0.82 117.35 116.79 1r6q s TYR 28 Ca 0.54 -0.24 -0.27 0.00 -1.01 0.00 0.00 57.07 56.10 1r6q s TYR 28 Cb -0.10 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.89 1r6q s TYR 28 CO 0.42 -0.03 0.82 0.15 -1.11 0.00 0.00 175.55 175.79 1r6q s LYS 29 N -0.25 4.63 -0.22 -0.62 1.02 0.92 -0.85 119.74 124.38 1r6q s LYS 29 Ca 0.04 1.24 -0.06 0.00 0.02 0.00 0.00 55.97 57.21 1r6q s LYS 29 Cb -0.06 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1r6q s LYS 29 CO -0.00 0.52 0.03 0.08 -0.92 0.00 0.00 175.35 175.06 1r6q s VAL 30 N -1.01 4.12 0.03 3.17 1.01 0.73 -1.76 120.40 126.70 1r6q s VAL 30 Ca 0.38 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1r6q s VAL 30 Cb -0.24 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1r6q s VAL 30 CO 0.27 0.39 -0.22 -0.63 0.00 0.00 0.00 175.10 174.92 1r6q s ILE 31 N 1.23 2.45 -0.17 2.22 1.01 0.12 0.36 121.20 128.41 1r6q s ILE 31 Ca 0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 60.65 59.40 1r6q s ILE 31 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1r6q s ILE 31 CO 0.02 0.39 -0.01 -0.76 0.00 0.00 0.00 174.94 174.58 1r6q s LEU 32 N -1.22 3.33 -0.06 2.97 1.02 -0.44 -0.84 118.68 123.43 1r6q s LEU 32 Ca 0.13 -0.12 -0.04 0.00 0.02 0.00 0.00 54.13 54.12 1r6q s LEU 32 Cb -0.10 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1r6q s LEU 32 CO 0.03 0.14 0.12 -0.69 0.02 0.00 0.00 176.35 175.96 1r6q s VAL 33 N 0.57 5.13 0.50 -1.59 1.01 -0.16 -1.71 120.40 124.15 1r6q s VAL 33 Ca -0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.69 1r6q s VAL 33 Cb -0.14 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1r6q s VAL 33 CO 0.02 0.49 1.02 0.21 0.00 0.00 0.00 175.10 176.84 1r6q s ASN 34 N -1.38 6.35 0.23 3.32 2.47 -0.04 -4.26 114.94 121.64 1r6q s ASN 34 Ca 0.19 1.82 -0.12 0.00 0.42 0.00 0.00 52.86 55.17 1r6q s ASN 34 Cb -0.12 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1r6q s ASN 34 CO 0.09 -0.77 0.44 1.51 -3.72 0.00 0.00 177.10 174.66 1r6q s ASP 35 N -2.34 -0.08 0.00 -4.21 1.47 -1.26 -4.95 116.67 105.29 1r6q s ASP 35 Ca 0.64 -0.89 0.28 0.00 1.18 0.00 0.00 52.55 53.76 1r6q s ASP 35 Cb -0.14 0.56 0.97 0.00 -0.34 0.00 0.00 42.92 43.97 1r6q s ASP 35 CO 0.24 -1.09 1.70 0.47 0.68 0.00 0.00 175.17 177.17 1r6q n ASP 36 N -0.35 1.14 -0.12 2.11 8.00 -1.26 -4.40 116.55 121.68 1r6q n ASP 36 Ca -0.03 -1.13 -0.17 0.00 0.71 0.00 0.00 54.79 54.17 1r6q n ASP 36 Cb 0.62 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.67 1r6q n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1r6q n TYR 37 N -0.33 0.00 -2.00 1.24 4.02 -1.26 -4.96 117.16 113.87 1r6q n TYR 37 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 1r6q n TYR 37 Cb 0.34 -0.90 -0.03 0.00 -0.02 0.00 0.00 39.34 38.73 1r6q n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1r6q s THR 38 N -2.47 3.45 0.52 -0.72 2.01 -1.26 -4.99 115.64 112.18 1r6q s THR 38 Ca -0.32 0.66 -0.22 0.00 0.31 0.00 0.00 61.69 62.13 1r6q s THR 38 Cb 0.09 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 1r6q s THR 38 CO 0.53 -0.04 1.26 -2.84 -0.69 0.00 0.00 174.62 172.84 1r6q s PRO 39 N 3.58 3.33 0.36 4.92 0.02 -1.26 -4.91 135.00 141.04 1r6q s PRO 39 Ca 0.73 1.99 0.05 0.00 0.02 0.00 0.00 61.00 63.80 1r6q s PRO 39 Cb -0.35 -2.25 0.73 0.00 0.02 0.00 0.00 34.50 32.65 1r6q s PRO 39 CO 0.30 -0.96 1.96 0.52 -0.33 0.00 0.00 177.00 178.50 1r6q h MET 40 N 1.56 0.74 -0.61 5.54 2.86 -2.00 -1.83 114.93 121.19 1r6q h MET 40 Ca -0.50 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.06 1r6q h MET 40 Cb 1.28 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1r6q h MET 40 CO 0.58 0.49 0.25 1.49 1.06 0.00 0.00 176.91 180.78 1r6q h GLU 41 N 0.77 0.89 -0.15 1.72 4.81 -2.00 -2.01 114.58 118.60 1r6q h GLU 41 Ca 0.30 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 1r6q h GLU 41 Cb 0.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1r6q h GLU 41 CO -0.10 0.72 -0.69 0.35 -0.73 0.00 0.00 179.01 178.57 1r6q h PHE 42 N 0.87 0.83 -0.68 0.92 3.57 -1.71 -0.97 116.94 119.77 1r6q h PHE 42 Ca 0.21 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1r6q h PHE 42 Cb 0.16 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1r6q h PHE 42 CO 0.01 1.13 0.36 0.28 -2.23 0.00 0.00 178.31 177.86 1r6q h VAL 43 N 0.45 1.22 -0.56 1.41 2.07 -1.16 -0.61 116.25 119.07 1r6q h VAL 43 Ca -0.02 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1r6q h VAL 43 Cb 1.28 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1r6q h VAL 43 CO 0.13 0.24 0.17 0.40 0.02 0.00 0.00 177.57 178.54 1r6q h ILE 44 N 0.94 1.24 -0.23 4.57 2.04 -1.30 -1.45 117.51 123.31 1r6q h ILE 44 Ca 0.24 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1r6q h ILE 44 Cb 0.06 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1r6q h ILE 44 CO -0.04 0.30 -0.01 -0.78 0.00 0.00 0.00 178.15 177.63 1r6q h ASP 45 N 0.78 -0.11 -0.86 1.72 3.58 -0.76 -0.95 116.42 119.82 1r6q h ASP 45 Ca 0.18 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.73 1r6q h ASP 45 Cb 0.29 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.38 1r6q h ASP 45 CO -0.00 -0.03 0.54 0.58 -2.88 0.00 0.00 179.24 177.45 1r6q h VAL 46 N 0.06 1.09 -0.20 2.25 2.07 -0.88 0.66 116.25 121.30 1r6q h VAL 46 Ca 0.11 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1r6q h VAL 46 Cb 0.15 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1r6q h VAL 46 CO -0.20 0.19 -0.32 -0.07 0.02 0.00 0.00 177.57 177.19 1r6q h LEU 47 N 1.02 0.41 0.10 2.57 3.38 -0.40 -0.67 115.31 121.71 1r6q h LEU 47 Ca 0.36 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 1r6q h LEU 47 Cb 0.09 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.75 1r6q h LEU 47 CO -0.15 0.71 -0.71 1.56 0.09 0.00 0.00 178.44 179.95 1r6q h GLN 48 N 0.35 0.30 -0.20 1.13 4.20 -0.83 -2.55 115.11 117.52 1r6q h GLN 48 Ca 0.04 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 1r6q h GLN 48 Cb 0.73 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1r6q h GLN 48 CO 0.06 1.19 -0.14 -0.22 -0.67 0.00 0.00 178.83 179.04 1r6q h LYS 49 N -0.36 0.45 -0.01 1.46 3.64 -0.84 -2.66 116.57 118.25 1r6q h LYS 49 Ca -0.12 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1r6q h LYS 49 Cb 1.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1r6q h LYS 49 CO 0.13 0.77 -0.50 1.19 -2.27 0.00 0.00 179.45 178.77 1r6q n PHE 50 N -4.51 0.00 -0.58 1.91 3.72 -0.26 -4.50 117.46 113.23 1r6q n PHE 50 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1r6q n PHE 50 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1r6q n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1r6q n PHE 51 N -0.37 0.00 -2.29 1.38 3.72 -0.99 -5.03 117.46 113.88 1r6q n PHE 51 Ca 0.07 -0.03 -0.20 0.00 -0.05 0.00 0.00 57.45 57.23 1r6q n PHE 51 Cb 0.37 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1r6q n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1r6q n SER 52 N -0.03 -5.78 -4.84 4.37 7.64 -1.00 -4.94 113.62 109.04 1r6q n SER 52 Ca 0.00 0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 1r6q n SER 52 Cb 0.18 -4.83 -0.06 0.00 -1.01 0.00 0.00 64.21 58.50 1r6q n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r6q s TYR 53 N -2.99 3.37 0.79 1.43 2.02 -1.09 -4.99 117.35 115.89 1r6q s TYR 53 Ca 0.00 1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 58.01 1r6q s TYR 53 Cb 0.00 -2.72 0.07 0.00 -0.40 0.00 0.00 41.96 38.92 1r6q s TYR 53 CO 0.00 -0.10 1.15 0.16 -1.57 0.00 0.00 175.55 175.18 1r6q s ASP 54 N -2.46 4.60 0.22 2.29 1.47 -1.26 -4.36 116.67 117.17 1r6q s ASP 54 Ca 0.58 0.75 -0.08 0.00 1.18 0.00 0.00 52.55 54.98 1r6q s ASP 54 Cb -0.10 -1.28 0.35 0.00 -0.34 0.00 0.00 42.92 41.55 1r6q s ASP 54 CO 0.19 -1.83 1.71 0.58 0.68 0.00 0.00 175.17 176.51 1r6q h VAL 55 N -0.96 0.65 0.50 2.11 2.07 -1.97 -1.51 116.25 117.14 1r6q h VAL 55 Ca -0.46 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r6q h VAL 55 Cb 1.32 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1r6q h VAL 55 CO 0.65 0.06 -0.26 -0.08 0.02 0.00 0.00 177.57 177.96 1r6q h GLU 56 N 0.33 -0.68 -0.36 1.57 4.81 -2.00 -1.01 114.58 117.24 1r6q h GLU 56 Ca 0.35 0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 1r6q h GLU 56 Cb 0.52 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1r6q h GLU 56 CO -0.40 -0.45 -0.12 -0.09 -0.73 0.00 0.00 179.01 177.22 1r6q h ARG 57 N -0.70 0.63 -0.42 1.92 9.65 -1.91 -2.33 114.38 121.21 1r6q h ARG 57 Ca -0.07 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.56 1r6q h ARG 57 Cb 0.55 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1r6q h ARG 57 CO 0.10 0.73 0.03 0.00 2.80 0.00 0.00 179.97 183.63 1r6q h ALA 58 N 1.30 1.25 -0.55 2.80 0.00 -1.17 -1.82 119.26 121.07 1r6q h ALA 58 Ca 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1r6q h ALA 58 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1r6q h ALA 58 CO 0.03 0.50 -0.07 1.15 0.00 0.00 0.00 179.25 180.86 1r6q h THR 59 N 0.64 1.27 -0.17 0.00 2.02 -0.68 -0.57 112.91 115.41 1r6q h THR 59 Ca 0.13 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1r6q h THR 59 Cb 0.36 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1r6q h THR 59 CO 0.01 0.43 0.09 1.56 0.37 0.00 0.00 175.52 177.98 1r6q h GLN 60 N 0.90 0.25 -0.76 6.66 4.20 -1.08 -1.13 115.11 124.15 1r6q h GLN 60 Ca 0.15 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1r6q h GLN 60 Cb 0.63 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1r6q h GLN 60 CO 0.04 0.27 0.34 -0.07 -0.67 0.00 0.00 178.83 178.75 1r6q h LEU 61 N 0.16 0.99 -0.69 1.46 4.07 -1.25 -1.00 115.31 119.05 1r6q h LEU 61 Ca 0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1r6q h LEU 61 Cb 0.11 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 1r6q h LEU 61 CO -0.01 0.85 0.43 -0.03 -1.08 0.00 0.00 178.44 178.60 1r6q h MET 62 N 1.08 0.93 -0.40 1.13 4.05 -0.84 -1.24 114.93 119.63 1r6q h MET 62 Ca 0.26 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.53 1r6q h MET 62 Cb 0.14 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 1r6q h MET 62 CO -0.03 0.65 -0.06 -0.07 0.23 0.00 0.00 176.91 177.62 1r6q h LEU 63 N 0.94 0.65 -0.56 3.39 3.38 -0.62 -1.24 115.31 121.25 1r6q h LEU 63 Ca 0.25 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1r6q h LEU 63 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1r6q h LEU 63 CO -0.05 0.77 0.06 0.00 0.09 0.00 0.00 178.44 179.31 1r6q h ALA 64 N 1.31 0.74 -0.32 1.53 0.00 -0.65 -0.10 119.26 121.77 1r6q h ALA 64 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r6q h ALA 64 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1r6q h ALA 64 CO 0.03 0.51 0.18 0.28 0.00 0.00 0.00 179.25 180.25 1r6q h VAL 65 N 0.83 1.13 0.04 0.00 2.07 -0.94 0.20 116.25 119.58 1r6q h VAL 65 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1r6q h VAL 65 Cb 0.45 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1r6q h VAL 65 CO 0.02 0.14 -0.12 -0.74 0.02 0.00 0.00 177.57 176.88 1r6q h HIS 66 N 0.40 -0.31 0.18 1.57 6.17 -0.92 -0.87 115.15 121.38 1r6q h HIS 66 Ca 0.11 0.01 -0.35 0.00 0.71 0.00 0.00 60.37 60.86 1r6q h HIS 66 Cb 0.06 0.13 0.01 0.00 2.52 0.00 0.00 27.41 30.13 1r6q h HIS 66 CO -0.03 -0.18 -1.70 1.88 0.71 0.00 0.00 177.93 178.60 1r6q h TYR 67 N -0.23 0.71 0.00 5.26 0.05 -0.99 -3.37 116.97 118.40 1r6q h TYR 67 Ca 0.03 -0.52 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1r6q h TYR 67 Cb 0.26 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1r6q h TYR 67 CO -0.16 1.63 -0.56 1.04 -1.05 0.00 0.00 178.16 179.06 1r6q n GLN 68 N -3.58 0.12 0.00 4.88 6.02 0.68 -4.96 117.38 120.54 1r6q n GLN 68 Ca -0.23 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1r6q n GLN 68 Cb 1.08 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1r6q n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r6q n GLY 69 N 1.44 3.26 3.52 1.08 0.00 -0.33 -4.97 105.19 109.19 1r6q n GLY 69 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1r6q n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r6q s LYS 70 N -0.58 0.77 -0.05 1.61 -2.85 -1.23 -0.86 119.74 116.56 1r6q s LYS 70 Ca 0.00 -0.16 -0.15 0.00 -1.00 0.00 0.00 55.97 54.66 1r6q s LYS 70 Cb 0.00 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1r6q s LYS 70 CO 0.00 -0.31 0.34 0.00 0.10 0.00 0.00 175.35 175.48 1r6q s ALA 71 N -2.52 -0.87 -0.20 0.59 0.00 -0.69 -4.42 121.76 113.65 1r6q s ALA 71 Ca 0.03 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1r6q s ALA 71 Cb -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1r6q s ALA 71 CO -0.05 -0.24 0.94 0.42 0.00 0.00 0.00 175.76 176.82 1r6q s ILE 72 N -0.93 4.78 -0.01 0.00 1.01 -1.26 -1.33 121.20 123.45 1r6q s ILE 72 Ca -0.10 1.84 0.07 0.00 0.00 0.00 0.00 60.65 62.46 1r6q s ILE 72 Cb -0.04 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 1r6q s ILE 72 CO 0.04 -0.07 0.78 0.00 0.00 0.00 0.00 174.94 175.68 1r6q s GLY 74 N -5.06 -0.46 -0.14 0.00 0.00 -1.20 -4.99 107.32 95.47 1r6q s GLY 74 Ca -0.06 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.52 1r6q s GLY 74 CO 0.82 0.89 -0.16 0.14 0.00 0.00 0.00 173.10 174.78 1r6q s VAL 75 N -2.06 1.68 0.27 1.40 1.01 -1.26 -0.19 120.40 121.25 1r6q s VAL 75 Ca 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1r6q s VAL 75 Cb 0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1r6q s VAL 75 CO -0.06 0.48 0.16 -0.36 0.00 0.00 0.00 175.10 175.31 1r6q s PHE 76 N 1.19 1.48 0.83 5.22 0.40 -0.03 -4.93 117.98 122.15 1r6q s PHE 76 Ca -0.01 -1.39 -0.11 0.00 -0.60 0.00 0.00 56.93 54.83 1r6q s PHE 76 Cb -0.14 -0.76 0.10 0.00 0.51 0.00 0.00 43.02 42.73 1r6q s PHE 76 CO -0.07 -0.58 1.13 0.95 0.70 0.00 0.00 175.22 177.36 1r6q s THR 77 N -3.77 2.60 0.20 0.64 -4.23 -1.26 0.67 115.64 110.49 1r6q s THR 77 Ca 0.38 0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 1r6q s THR 77 Cb 0.06 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.58 1r6q s THR 77 CO 0.17 -0.24 1.69 0.00 -0.54 0.00 0.00 174.62 175.70 1r6q h ALA 78 N -1.37 0.59 -0.44 3.99 0.00 -1.87 0.79 119.26 120.96 1r6q h ALA 78 Ca -0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1r6q h ALA 78 Cb 1.26 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1r6q h ALA 78 CO 0.46 -0.35 0.28 1.49 0.00 0.00 0.00 179.25 181.13 1r6q h GLU 79 N 0.18 0.59 -0.26 0.00 4.81 -1.90 -1.49 114.58 116.50 1r6q h GLU 79 Ca 0.29 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.33 1r6q h GLU 79 Cb 0.44 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1r6q h GLU 79 CO -0.42 0.41 -0.42 0.28 -0.73 0.00 0.00 179.01 178.13 1r6q h VAL 80 N 0.59 1.30 -0.49 0.32 2.07 -1.78 -3.07 116.25 115.18 1r6q h VAL 80 Ca 0.16 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.09 1r6q h VAL 80 Cb -0.03 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1r6q h VAL 80 CO -0.03 0.52 0.28 0.00 0.02 0.00 0.00 177.57 178.36 1r6q h ALA 81 N 0.66 0.62 -0.89 1.67 0.00 -0.75 -0.24 119.26 120.34 1r6q h ALA 81 Ca 0.02 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1r6q h ALA 81 Cb 1.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1r6q h ALA 81 CO 0.10 -0.03 0.56 1.49 0.00 0.00 0.00 179.25 181.37 1r6q h GLU 82 N 0.56 0.98 -0.13 0.00 4.81 -1.29 -1.02 114.58 118.50 1r6q h GLU 82 Ca 0.20 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1r6q h GLU 82 Cb 0.04 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1r6q h GLU 82 CO -0.10 0.65 -0.18 1.15 -0.73 0.00 0.00 179.01 179.80 1r6q h THR 83 N 1.01 1.37 -0.69 0.32 2.02 -1.24 -2.43 112.91 113.27 1r6q h THR 83 Ca 0.39 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.19 1r6q h THR 83 Cb 0.19 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1r6q h THR 83 CO -0.18 0.41 0.44 0.11 0.37 0.00 0.00 175.52 176.67 1r6q h LYS 84 N -0.06 0.86 -0.57 6.66 1.57 -0.85 -0.99 116.57 123.19 1r6q h LYS 84 Ca 0.01 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1r6q h LYS 84 Cb 0.74 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1r6q h LYS 84 CO 0.04 0.57 0.35 0.28 -0.57 0.00 0.00 179.45 180.13 1r6q h VAL 85 N 0.89 1.07 -0.53 0.50 2.07 -1.16 -0.87 116.25 118.23 1r6q h VAL 85 Ca 0.26 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1r6q h VAL 85 Cb -0.05 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1r6q h VAL 85 CO -0.08 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 1r6q h ALA 86 N 1.25 0.92 -0.36 1.67 0.00 -1.02 -1.42 119.26 120.31 1r6q h ALA 86 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1r6q h ALA 86 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r6q h ALA 86 CO -0.09 0.63 0.07 0.52 0.00 0.00 0.00 179.25 180.38 1r6q h MET 87 N 0.85 0.59 -0.19 0.00 2.07 -0.77 -1.71 114.93 115.77 1r6q h MET 87 Ca 0.15 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1r6q h MET 87 Cb 0.57 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.22 1r6q h MET 87 CO 0.03 0.65 0.07 0.28 1.07 0.00 0.00 176.91 179.02 1r6q h VAL 88 N 0.43 1.16 -0.54 -2.22 2.07 -0.99 -1.80 116.25 114.36 1r6q h VAL 88 Ca 0.11 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1r6q h VAL 88 Cb 0.34 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1r6q h VAL 88 CO 0.01 0.16 0.23 0.78 0.02 0.00 0.00 177.57 178.77 1r6q h ASN 89 N 0.15 0.69 -0.40 0.57 2.35 -1.25 -0.85 115.58 116.84 1r6q h ASN 89 Ca 0.06 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1r6q h ASN 89 Cb 0.18 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1r6q h ASN 89 CO -0.00 0.61 -0.14 0.50 -1.65 0.00 0.00 177.43 176.74 1r6q h LYS 90 N 0.76 0.80 -0.70 0.81 3.64 -1.18 -1.47 116.57 119.22 1r6q h LYS 90 Ca 0.19 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1r6q h LYS 90 Cb 0.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1r6q h LYS 90 CO -0.02 0.95 0.26 -0.92 -2.27 0.00 0.00 179.45 177.45 1r6q h TYR 91 N 0.61 1.07 -0.38 1.91 3.20 -0.80 -0.27 116.97 122.31 1r6q h TYR 91 Ca 0.09 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1r6q h TYR 91 Cb 0.68 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1r6q h TYR 91 CO 0.05 0.83 -0.03 0.00 -1.64 0.00 0.00 178.16 177.37 1r6q h ALA 92 N 1.25 0.52 -0.19 1.82 0.00 -1.08 -2.35 119.26 119.24 1r6q h ALA 92 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r6q h ALA 92 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r6q h ALA 92 CO -0.02 0.32 0.11 -0.09 0.00 0.00 0.00 179.25 179.57 1r6q h ARG 93 N 0.51 0.22 -0.10 0.00 2.43 -0.88 0.72 114.38 117.27 1r6q h ARG 93 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1r6q h ARG 93 Cb 0.52 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1r6q h ARG 93 CO 0.03 0.15 -0.02 0.93 -1.51 0.00 0.00 179.97 179.54 1r6q h GLU 94 N 0.23 0.15 -0.53 0.20 5.08 -1.00 -0.69 114.58 118.01 1r6q h GLU 94 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1r6q h GLU 94 Cb -0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r6q h GLU 94 CO -0.03 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.25 1r6q n ASN 95 N -4.42 3.05 -3.56 1.42 3.02 -0.89 -4.96 115.26 108.92 1r6q n ASN 95 Ca -0.01 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.31 1r6q n ASN 95 Cb 0.16 -0.36 0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1r6q n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r6q n GLU 96 N 1.17 -7.26 -4.96 3.52 1.02 -0.27 -5.01 120.64 108.86 1r6q n GLU 96 Ca 0.19 0.81 -0.32 0.00 -0.02 0.00 0.00 57.16 57.82 1r6q n GLU 96 Cb 0.49 -5.82 -0.14 0.00 -0.02 0.00 0.00 31.44 25.95 1r6q n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r6q s HIS 97 N -3.29 2.57 -0.25 -0.32 3.76 0.09 -5.01 115.29 112.84 1r6q s HIS 97 Ca 0.56 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.22 1r6q s HIS 97 Cb -0.25 -1.56 0.09 0.00 1.11 0.00 0.00 32.58 31.96 1r6q s HIS 97 CO 0.69 0.14 1.01 -0.35 -0.85 0.00 0.00 174.74 175.38 1r6q n PRO 98 N 2.19 1.23 -1.79 8.40 -0.04 -1.26 -4.08 135.00 139.65 1r6q n PRO 98 Ca -0.17 -0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 62.50 1r6q n PRO 98 Cb 0.52 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1r6q n PRO 98 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1r6q s LEU 99 N -0.39 4.07 -0.26 1.53 2.96 -1.26 -4.95 118.68 120.37 1r6q s LEU 99 Ca 0.07 2.21 -0.12 0.00 -0.22 0.00 0.00 54.13 56.06 1r6q s LEU 99 Cb 0.06 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1r6q s LEU 99 CO 0.01 -1.30 0.25 -0.22 -1.32 0.00 0.00 176.35 173.77 1r6q s LEU 100 N 5.50 4.06 -0.13 -0.68 2.96 -1.26 -4.79 118.68 124.33 1r6q s LEU 100 Ca 0.86 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1r6q s LEU 100 Cb -0.35 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1r6q s LEU 100 CO 0.36 -0.06 -0.03 0.00 -1.32 0.00 0.00 176.35 175.29 1r6q s THR 102 N -0.01 0.41 0.20 0.00 -4.23 -0.02 -4.92 115.64 107.07 1r6q s THR 102 Ca 0.01 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.57 1r6q s THR 102 Cb -0.13 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1r6q s THR 102 CO 0.03 0.00 -0.07 -1.48 -0.54 0.00 0.00 174.62 172.56 1r6q s LEU 103 N -3.37 2.41 -0.16 4.79 0.05 -1.26 0.13 118.68 121.27 1r6q s LEU 103 Ca 0.36 -1.10 -0.22 0.00 0.05 0.00 0.00 54.13 53.21 1r6q s LEU 103 Cb 0.06 -0.40 0.06 0.00 -2.05 0.00 0.00 46.19 43.86 1r6q s LEU 103 CO 0.16 -0.37 0.59 -0.70 -0.55 0.00 0.00 176.35 175.48 1r6q s GLU 104 N -3.77 0.78 0.24 1.48 2.12 -0.72 -4.97 118.70 113.86 1r6q s GLU 104 Ca 0.23 0.59 -0.31 0.00 0.36 0.00 0.00 54.97 55.84 1r6q s GLU 104 Cb 0.03 0.37 -0.12 0.00 0.26 0.00 0.00 34.13 34.67 1r6q s GLU 104 CO 0.05 -0.15 1.62 1.63 -0.54 0.00 0.00 175.26 177.87 1r6q n LYS 105 N 2.18 2.59 0.00 4.30 5.02 -1.26 -0.06 118.16 130.92 1r6q n LYS 105 Ca -0.16 0.93 0.05 0.00 -2.02 0.00 0.00 58.31 57.11 1r6q n LYS 105 Cb 0.56 -2.72 0.28 0.00 -0.02 0.00 0.00 35.03 33.13 1r6q n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88