#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s TRP 2 N 0.00 3.74 0.15 0.66 1.48 -1.26 -5.06 118.94 118.65 1k9m s TRP 2 Ca 0.00 1.67 -0.11 0.00 -1.06 0.00 0.00 56.10 56.61 1k9m s TRP 2 Cb 0.00 -2.83 -0.07 0.00 -1.16 0.00 0.00 33.47 29.42 1k9m s TRP 2 CO 0.00 0.31 0.49 -0.51 -4.06 0.00 0.00 176.95 173.18 1k9m s ASP 3 N -1.52 6.68 0.01 -2.66 1.01 -1.26 -5.04 116.67 113.89 1k9m s ASP 3 Ca 0.45 0.90 -0.26 0.00 0.71 0.00 0.00 52.55 54.36 1k9m s ASP 3 Cb -0.19 -2.22 -0.15 0.00 1.01 0.00 0.00 42.92 41.36 1k9m s ASP 3 CO 0.24 0.07 1.17 0.58 0.21 0.00 0.00 175.17 177.43 1k9m h VAL 4 N 2.51 0.33 -3.43 -1.27 2.07 -1.96 -3.40 116.25 111.10 1k9m h VAL 4 Ca -0.48 -0.43 -0.54 0.00 0.82 0.00 0.00 66.70 66.07 1k9m h VAL 4 Cb 1.18 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1k9m h VAL 4 CO 0.68 0.05 0.21 -0.63 0.02 0.00 0.00 177.57 177.90 1k9m s ILE 5 N -4.67 4.79 -0.26 4.57 1.01 -1.26 -1.43 121.20 123.95 1k9m s ILE 5 Ca -0.14 1.73 -0.12 0.00 0.00 0.00 0.00 60.65 62.13 1k9m s ILE 5 Cb 0.02 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 1k9m s ILE 5 CO 0.48 0.30 -0.23 0.29 0.00 0.00 0.00 174.94 175.77 1k9m n LYS 6 N 3.20 0.60 0.00 2.79 5.02 0.41 -4.92 118.16 125.26 1k9m n LYS 6 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1k9m n LYS 6 Cb 0.50 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1k9m n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1k9m n HIS 7 N -4.08 0.00 -2.29 2.13 1.44 -1.12 -5.00 115.22 106.30 1k9m n HIS 7 Ca -0.49 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 54.80 1k9m n HIS 7 Cb 0.88 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.96 1k9m n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1k9m s PRO 8 N -2.00 4.41 -0.69 -1.40 0.02 -1.26 -0.23 135.00 133.84 1k9m s PRO 8 Ca 0.00 1.95 -0.21 0.00 0.02 0.00 0.00 61.00 62.76 1k9m s PRO 8 Cb 0.00 -3.25 0.09 0.00 0.02 0.00 0.00 34.50 31.36 1k9m s PRO 8 CO 0.00 -0.25 0.92 -1.58 -0.33 0.00 0.00 177.00 175.76 1k9m s HIS 9 N 0.48 2.85 -0.33 6.54 2.46 0.06 -4.80 115.29 122.56 1k9m s HIS 9 Ca 0.58 -0.83 -0.11 0.00 0.47 0.00 0.00 55.06 55.16 1k9m s HIS 9 Cb -0.34 -4.21 -0.00 0.00 -0.13 0.00 0.00 32.58 27.90 1k9m s HIS 9 CO 0.34 -1.52 0.19 0.54 -2.47 0.00 0.00 174.74 171.83 1k9m s VAL 10 N 3.39 4.84 0.11 0.89 0.11 -1.26 -4.63 120.40 123.85 1k9m s VAL 10 Ca 0.21 -0.43 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 1k9m s VAL 10 Cb -0.17 -3.52 0.03 0.00 -1.53 0.00 0.00 36.38 31.19 1k9m s VAL 10 CO 0.05 -0.02 0.36 0.42 -3.33 0.00 0.00 175.10 172.59 1k9m s THR 11 N 1.64 0.08 0.25 5.04 -4.23 -1.26 -5.00 115.64 112.17 1k9m s THR 11 Ca 0.05 -0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1k9m s THR 11 Cb -0.18 -1.18 0.36 0.00 1.34 0.00 0.00 72.50 72.84 1k9m s THR 11 CO 0.08 -0.37 1.58 -0.33 -0.54 0.00 0.00 174.62 175.04 1k9m h GLU 12 N 2.47 -0.01 0.00 3.99 3.07 -1.99 0.87 114.58 122.97 1k9m h GLU 12 Ca -0.34 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.49 1k9m h GLU 12 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1k9m h GLU 12 CO 0.48 -0.01 -0.17 -0.22 -1.40 0.00 0.00 179.01 177.69 1k9m h LYS 13 N -0.01 0.00 -0.12 2.33 3.64 -1.98 -1.49 116.57 118.94 1k9m h LYS 13 Ca 0.41 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.61 1k9m h LYS 13 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1k9m h LYS 13 CO -0.89 0.17 -0.64 0.00 -2.27 0.00 0.00 179.45 175.82 1k9m h ALA 14 N 1.83 0.66 -0.28 5.00 0.00 0.38 -2.95 119.26 123.89 1k9m h ALA 14 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1k9m h ALA 14 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1k9m h ALA 14 CO 0.02 0.72 0.17 0.52 0.00 0.00 0.00 179.25 180.68 1k9m h MET 15 N 0.33 0.38 -0.49 0.00 2.86 -0.00 -1.80 114.93 116.22 1k9m h MET 15 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1k9m h MET 15 Cb 1.20 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1k9m h MET 15 CO 0.11 0.30 0.26 -0.91 1.06 0.00 0.00 176.91 177.74 1k9m h ASN 16 N 0.35 0.59 -0.11 1.22 2.35 -1.38 0.17 115.58 118.78 1k9m h ASN 16 Ca 0.10 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 1k9m h ASN 16 Cb 0.02 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1k9m h ASN 16 CO -0.02 0.49 -0.59 0.44 -1.65 0.00 0.00 177.43 176.10 1k9m h ASP 17 N 0.67 0.80 0.19 5.81 5.19 -1.33 -0.13 116.42 127.62 1k9m h ASP 17 Ca 0.17 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1k9m h ASP 17 Cb 0.03 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1k9m h ASP 17 CO -0.03 1.21 -0.09 -0.03 -3.12 0.00 0.00 179.24 177.18 1k9m h MET 18 N 0.53 -0.24 -0.28 3.56 4.05 -0.54 0.40 114.93 122.42 1k9m h MET 18 Ca 0.00 0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 1k9m h MET 18 Cb 1.17 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1k9m h MET 18 CO 0.12 0.13 -0.36 -0.44 0.23 0.00 0.00 176.91 176.59 1k9m h ASP 19 N -0.68 0.64 0.00 1.39 3.32 -0.75 -2.72 116.42 117.63 1k9m h ASP 19 Ca -0.03 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 1k9m h ASP 19 Cb 0.48 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1k9m h ASP 19 CO 0.04 0.94 -2.01 0.49 -1.72 0.00 0.00 179.24 176.99 1k9m n PHE 20 N -4.05 0.00 -0.28 4.55 0.99 -0.06 -4.67 117.46 113.94 1k9m n PHE 20 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1k9m n PHE 20 Cb 0.49 -0.59 0.00 0.00 -1.00 0.00 0.00 39.48 38.38 1k9m n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1k9m n GLN 21 N -2.34 0.96 -3.60 -1.08 6.02 0.13 -5.01 117.38 112.47 1k9m n GLN 21 Ca -0.12 -0.86 -0.21 0.00 -0.01 0.00 0.00 57.00 55.80 1k9m n GLN 21 Cb 0.69 -0.86 0.06 0.00 1.02 0.00 0.00 30.24 31.16 1k9m n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k9m n ASN 22 N -0.21 -2.88 -4.37 1.08 5.15 -0.45 -4.80 115.26 108.78 1k9m n ASN 22 Ca 0.00 -0.68 -0.28 0.00 -0.60 0.00 0.00 54.58 53.01 1k9m n ASN 22 Cb 0.22 -4.66 -0.13 0.00 -0.53 0.00 0.00 39.78 34.68 1k9m n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k9m s LYS 23 N -5.86 1.41 -0.07 1.20 1.02 -0.87 -1.67 119.74 114.91 1k9m s LYS 23 Ca 0.18 -1.28 0.05 0.00 0.02 0.00 0.00 55.97 54.94 1k9m s LYS 23 Cb -0.08 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1k9m s LYS 23 CO 0.77 0.44 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.90 1k9m s LEU 24 N -1.92 2.03 -0.14 3.17 1.43 0.23 -2.83 118.68 120.65 1k9m s LEU 24 Ca 0.12 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1k9m s LEU 24 Cb -0.10 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1k9m s LEU 24 CO 0.05 0.19 -0.03 -1.10 0.23 0.00 0.00 176.35 175.70 1k9m s GLN 25 N 0.09 3.47 0.16 1.70 -0.21 -1.26 -0.10 119.66 123.53 1k9m s GLN 25 Ca -0.10 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 54.86 1k9m s GLN 25 Cb -0.15 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1k9m s GLN 25 CO 0.05 0.38 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.40 1k9m s PHE 26 N 0.00 1.54 -0.23 0.91 0.40 0.15 -0.76 117.98 120.00 1k9m s PHE 26 Ca 0.01 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1k9m s PHE 26 Cb -0.13 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 1k9m s PHE 26 CO 0.02 0.24 0.16 0.00 0.70 0.00 0.00 175.22 176.34 1k9m s ALA 27 N -2.67 3.63 0.22 5.36 0.00 0.68 -1.45 121.76 127.52 1k9m s ALA 27 Ca 0.16 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1k9m s ALA 27 Cb -0.02 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1k9m s ALA 27 CO 0.04 -0.11 -0.07 0.14 0.00 0.00 0.00 175.76 175.77 1k9m s VAL 28 N 0.89 1.37 0.16 0.00 -7.23 0.48 -0.45 120.40 115.62 1k9m s VAL 28 Ca 0.08 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 1k9m s VAL 28 Cb -0.13 -2.21 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 1k9m s VAL 28 CO 0.03 -0.46 1.38 -0.62 -0.31 0.00 0.00 175.10 175.12 1k9m s ASP 29 N -3.32 6.81 0.00 4.85 -1.08 -0.51 -3.10 116.67 120.32 1k9m s ASP 29 Ca 0.25 2.42 0.01 0.00 -0.52 0.00 0.00 52.55 54.71 1k9m s ASP 29 Cb 0.03 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1k9m s ASP 29 CO 0.07 -0.63 0.84 -0.90 0.52 0.00 0.00 175.17 175.07 1k9m n ASP 30 N 3.31 0.00 -0.12 -0.34 5.75 -1.26 -1.55 116.55 122.35 1k9m n ASP 30 Ca 0.09 0.30 0.12 0.00 -0.01 0.00 0.00 54.79 55.30 1k9m n ASP 30 Cb 0.42 -0.31 0.31 0.00 -1.03 0.00 0.00 41.12 40.50 1k9m n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k9m n ARG 31 N -1.31 0.39 -2.74 0.11 1.74 -1.26 -4.89 116.66 108.70 1k9m n ARG 31 Ca 0.00 -0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.44 1k9m n ARG 31 Cb 0.01 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 1k9m n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9m s ALA 32 N -2.77 3.20 0.53 7.54 0.00 -0.59 -5.06 121.76 124.61 1k9m s ALA 32 Ca 0.17 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1k9m s ALA 32 Cb 0.18 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1k9m s ALA 32 CO 0.62 -0.16 0.85 -1.54 0.00 0.00 0.00 175.76 175.52 1k9m s SER 33 N 0.70 6.02 0.24 0.00 1.04 -1.26 -4.89 113.70 115.55 1k9m s SER 33 Ca 0.49 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.76 1k9m s SER 33 Cb -0.21 -2.07 0.42 0.00 0.10 0.00 0.00 66.02 64.26 1k9m s SER 33 CO 0.28 -0.78 1.70 0.11 0.98 0.00 0.00 173.24 175.53 1k9m h LYS 34 N 0.03 0.31 -0.49 4.02 1.57 -1.97 -0.47 116.57 119.57 1k9m h LYS 34 Ca -0.46 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 1k9m h LYS 34 Cb 1.22 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 1k9m h LYS 34 CO 0.61 0.20 0.09 0.78 -0.57 0.00 0.00 179.45 180.57 1k9m h GLY 35 N 0.32 0.58 1.72 3.86 0.00 -1.95 0.31 103.07 107.90 1k9m h GLY 35 Ca 0.39 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 1k9m h GLY 35 CO -0.45 -0.07 -0.24 0.83 0.00 0.00 0.00 176.54 176.61 1k9m h GLU 36 N 0.22 0.33 -0.27 4.80 5.08 -1.51 -1.94 114.58 121.30 1k9m h GLU 36 Ca 0.24 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1k9m h GLU 36 Cb 0.33 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1k9m h GLU 36 CO -0.32 0.56 -0.31 0.28 -1.00 0.00 0.00 179.01 178.21 1k9m h VAL 37 N 0.30 1.31 0.36 3.13 2.07 -0.06 -1.79 116.25 121.57 1k9m h VAL 37 Ca 0.05 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1k9m h VAL 37 Cb 0.59 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1k9m h VAL 37 CO 0.04 0.47 -0.31 0.00 0.02 0.00 0.00 177.57 177.80 1k9m h ALA 38 N 0.68 -0.69 0.25 1.67 0.00 -0.07 -1.76 119.26 119.35 1k9m h ALA 38 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k9m h ALA 38 Cb 0.89 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1k9m h ALA 38 CO 0.07 -0.91 -0.22 -0.44 0.00 0.00 0.00 179.25 177.75 1k9m h ASP 39 N -0.68 -0.57 -0.69 0.00 3.32 -1.36 -2.02 116.42 114.41 1k9m h ASP 39 Ca -0.03 0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.22 1k9m h ASP 39 Cb 0.60 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.24 1k9m h ASP 39 CO -0.03 -0.33 0.15 0.00 -1.72 0.00 0.00 179.24 177.31 1k9m h ALA 40 N 0.21 0.86 -0.76 3.45 0.00 -1.29 -0.76 119.26 120.96 1k9m h ALA 40 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1k9m h ALA 40 Cb 0.44 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1k9m h ALA 40 CO -0.03 -0.33 0.37 0.28 0.00 0.00 0.00 179.25 179.53 1k9m h VAL 41 N 0.25 1.24 -0.23 0.00 2.07 -1.03 -1.75 116.25 116.81 1k9m h VAL 41 Ca 0.38 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1k9m h VAL 41 Cb 0.63 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1k9m h VAL 41 CO -0.49 0.29 -0.02 -0.33 0.02 0.00 0.00 177.57 177.04 1k9m h GLU 42 N 1.08 0.42 -0.11 1.57 5.08 -0.47 -2.33 114.58 119.81 1k9m h GLU 42 Ca 0.26 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1k9m h GLU 42 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k9m h GLU 42 CO -0.03 0.63 -0.11 0.93 -1.00 0.00 0.00 179.01 179.42 1k9m h GLU 43 N 0.18 0.17 0.00 2.33 5.08 -1.05 0.50 114.58 121.79 1k9m h GLU 43 Ca 0.06 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1k9m h GLU 43 Cb 0.45 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1k9m h GLU 43 CO 0.02 0.29 -1.17 1.96 -1.00 0.00 0.00 179.01 179.11 1k9m h GLN 44 N 0.16 0.00 -0.00 2.33 1.08 -1.26 -3.38 115.11 114.04 1k9m h GLN 44 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1k9m h GLN 44 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1k9m h GLN 44 CO 0.02 0.66 -0.00 0.66 -0.95 0.00 0.00 178.83 179.21 1k9m n TYR 45 N -3.17 0.00 -3.23 2.96 4.02 -0.88 -5.04 117.16 111.82 1k9m n TYR 45 Ca -0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.77 1k9m n TYR 45 Cb 0.92 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.24 1k9m n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1k9m n ASP 46 N -0.04 -7.09 -3.08 7.72 -0.08 0.17 -5.03 116.55 109.13 1k9m n ASP 46 Ca 0.00 -0.31 -0.16 0.00 -1.51 0.00 0.00 54.79 52.80 1k9m n ASP 46 Cb 0.00 -4.54 -0.05 0.00 2.34 0.00 0.00 41.12 38.88 1k9m n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1k9m n VAL 47 N -2.10 0.00 -3.97 5.18 0.24 -1.20 -5.08 118.33 111.41 1k9m n VAL 47 Ca -0.07 -2.03 -0.34 0.00 -2.04 0.00 0.00 64.34 59.86 1k9m n VAL 47 Cb 0.55 1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 33.91 1k9m n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1k9m s THR 48 N -3.02 2.80 -0.31 3.34 2.01 -1.26 -4.66 115.64 114.55 1k9m s THR 48 Ca 0.33 -1.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1k9m s THR 48 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1k9m s THR 48 CO 0.24 0.19 0.81 -0.69 -0.69 0.00 0.00 174.62 174.48 1k9m s VAL 49 N 1.31 4.77 -0.02 3.82 1.01 -1.26 -1.50 120.40 128.52 1k9m s VAL 49 Ca -0.00 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1k9m s VAL 49 Cb -0.17 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 1k9m s VAL 49 CO -0.05 -0.27 0.76 -0.33 0.00 0.00 0.00 175.10 175.21 1k9m h GLU 50 N 8.12 0.22 -2.26 2.72 4.39 -1.11 -3.48 114.58 123.18 1k9m h GLU 50 Ca -0.24 -0.37 -0.06 0.00 0.34 0.00 0.00 59.36 59.03 1k9m h GLU 50 Cb 1.09 0.14 -0.18 0.00 -0.10 0.00 0.00 28.75 29.70 1k9m h GLU 50 CO 0.90 1.05 0.16 -1.14 -1.16 0.00 0.00 179.01 178.82 1k9m s GLN 51 N -2.61 1.08 -0.06 2.33 0.74 -1.14 -4.99 119.66 115.01 1k9m s GLN 51 Ca -0.10 0.08 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 1k9m s GLN 51 Cb 0.07 0.50 0.03 0.00 1.10 0.00 0.00 33.01 34.71 1k9m s GLN 51 CO 0.84 -0.36 -0.02 0.08 -0.55 0.00 0.00 175.29 175.28 1k9m s VAL 52 N -1.71 0.45 -0.09 1.34 1.01 -1.26 -0.73 120.40 119.41 1k9m s VAL 52 Ca -0.09 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1k9m s VAL 52 Cb -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1k9m s VAL 52 CO 0.05 0.25 -0.13 0.20 0.00 0.00 0.00 175.10 175.47 1k9m s ASN 53 N 1.60 4.03 0.30 3.32 0.01 -0.35 -4.94 114.94 118.90 1k9m s ASN 53 Ca -0.01 -0.26 0.11 0.00 -0.71 0.00 0.00 52.86 52.00 1k9m s ASN 53 Cb -0.13 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 1k9m s ASN 53 CO -0.04 0.25 -0.17 0.42 -1.51 0.00 0.00 177.10 176.05 1k9m s THR 54 N -0.16 2.41 -0.23 1.60 -4.23 -1.26 -0.21 115.64 113.57 1k9m s THR 54 Ca -0.00 -2.36 -0.14 0.00 -1.18 0.00 0.00 61.69 58.01 1k9m s THR 54 Cb -0.13 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1k9m s THR 54 CO 0.03 -0.35 0.56 -1.58 -0.54 0.00 0.00 174.62 172.74 1k9m s GLN 55 N -3.54 0.59 -0.40 3.99 0.74 -0.24 -4.99 119.66 115.80 1k9m s GLN 55 Ca 0.31 0.97 -0.22 0.00 0.05 0.00 0.00 55.36 56.47 1k9m s GLN 55 Cb -0.03 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.22 1k9m s GLN 55 CO 0.15 -0.14 0.70 -0.80 -0.55 0.00 0.00 175.29 174.65 1k9m s ASN 56 N 1.26 6.41 0.54 6.67 0.01 -1.26 -0.12 114.94 128.45 1k9m s ASN 56 Ca -0.08 -0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 51.91 1k9m s ASN 56 Cb -0.06 -2.35 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 1k9m s ASN 56 CO -0.13 -0.74 1.00 -0.89 -1.51 0.00 0.00 177.10 174.83 1k9m s THR 57 N 2.94 4.54 -1.42 1.60 2.01 0.10 -4.93 115.64 120.48 1k9m s THR 57 Ca 0.26 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.38 1k9m s THR 57 Cb -0.14 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1k9m s THR 57 CO 0.18 -0.79 0.56 0.23 -0.69 0.00 0.00 174.62 174.11 1k9m n MET 58 N -1.88 0.79 -0.00 4.92 2.81 -1.26 -1.25 117.12 121.24 1k9m n MET 58 Ca 0.07 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.03 1k9m n MET 58 Cb 0.54 -1.23 -0.09 0.00 -0.71 0.00 0.00 33.22 31.73 1k9m n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1k9m n ASP 59 N -0.15 0.79 0.00 7.83 10.43 -1.26 -4.97 116.55 129.22 1k9m n ASP 59 Ca 0.00 -0.77 0.00 0.00 2.57 0.00 0.00 54.79 56.59 1k9m n ASP 59 Cb 0.11 1.07 0.00 0.00 1.84 0.00 0.00 41.12 44.15 1k9m n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1k9m n GLY 60 N 1.38 0.54 3.70 0.44 0.00 -0.38 -5.06 105.19 105.81 1k9m n GLY 60 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1k9m n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 61 N -0.85 2.13 -0.13 1.61 2.02 -1.26 -4.92 118.70 117.30 1k9m s GLU 61 Ca 0.00 -1.95 -0.03 0.00 0.02 0.00 0.00 54.97 53.01 1k9m s GLU 61 Cb 0.00 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1k9m s GLU 61 CO 0.00 -0.10 -0.01 0.21 0.02 0.00 0.00 175.26 175.38 1k9m s LYS 62 N -3.84 3.39 -0.10 1.61 2.20 -1.18 0.01 119.74 121.84 1k9m s LYS 62 Ca 0.38 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1k9m s LYS 62 Cb 0.06 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 1k9m s LYS 62 CO 0.21 0.45 -0.05 0.21 -0.36 0.00 0.00 175.35 175.80 1k9m s LYS 63 N -0.19 3.07 -0.08 4.03 2.20 0.83 -0.39 119.74 129.21 1k9m s LYS 63 Ca 0.05 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1k9m s LYS 63 Cb -0.13 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1k9m s LYS 63 CO 0.02 0.53 -0.18 0.00 -0.36 0.00 0.00 175.35 175.36 1k9m s ALA 64 N -0.45 1.71 -0.42 3.13 0.00 -0.53 -1.08 121.76 124.12 1k9m s ALA 64 Ca 0.07 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1k9m s ALA 64 Cb -0.12 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.41 1k9m s ALA 64 CO 0.02 0.23 0.28 0.08 0.00 0.00 0.00 175.76 176.37 1k9m s VAL 65 N 0.39 4.52 -0.22 0.00 1.01 0.71 -0.68 120.40 126.13 1k9m s VAL 65 Ca -0.14 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 1k9m s VAL 65 Cb -0.16 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1k9m s VAL 65 CO 0.06 -0.47 0.06 -0.69 0.00 0.00 0.00 175.10 174.05 1k9m s VAL 66 N 1.50 4.45 -0.15 2.92 1.01 0.86 -1.21 120.40 129.78 1k9m s VAL 66 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1k9m s VAL 66 Cb -0.23 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1k9m s VAL 66 CO 0.04 0.39 0.18 -0.60 0.00 0.00 0.00 175.10 175.11 1k9m s ARG 67 N 1.13 3.87 0.44 2.72 3.52 0.09 0.75 118.95 131.47 1k9m s ARG 67 Ca 0.04 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.62 1k9m s ARG 67 Cb -0.14 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1k9m s ARG 67 CO 0.03 0.52 0.60 -0.51 -0.81 0.00 0.00 175.30 175.13 1k9m s LEU 68 N -0.31 3.61 0.46 -0.88 1.43 -0.67 -0.60 118.68 121.73 1k9m s LEU 68 Ca 0.13 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1k9m s LEU 68 Cb -0.12 -2.71 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 1k9m s LEU 68 CO 0.03 -0.81 0.92 -0.94 0.23 0.00 0.00 176.35 175.78 1k9m s SER 69 N -4.35 6.69 0.14 2.29 1.04 -0.56 -4.61 113.70 114.34 1k9m s SER 69 Ca 0.55 1.50 0.06 0.00 0.48 0.00 0.00 55.95 58.54 1k9m s SER 69 Cb -0.10 -2.47 0.31 0.00 0.10 0.00 0.00 66.02 63.86 1k9m s SER 69 CO 0.34 -0.47 1.03 -0.62 0.98 0.00 0.00 173.24 174.49 1k9m n GLU 70 N -1.22 0.04 0.11 4.02 1.02 -1.26 0.89 120.64 124.24 1k9m n GLU 70 Ca 0.06 0.42 -0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1k9m n GLU 70 Cb 0.54 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1k9m n GLU 70 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1k9m h ASP 71 N 0.00 0.00 -2.34 1.62 1.82 -1.96 -3.45 116.42 112.11 1k9m h ASP 71 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1k9m h ASP 71 Cb 0.46 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.42 1k9m h ASP 71 CO 0.00 0.69 -0.53 -1.81 -1.61 0.00 0.00 179.24 175.98 1k9m s ASP 72 N -6.56 5.57 -0.22 2.28 1.01 0.26 -5.09 116.67 113.92 1k9m s ASP 72 Ca 0.03 -0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.10 1k9m s ASP 72 Cb 0.08 -1.44 0.05 0.00 1.01 0.00 0.00 42.92 42.63 1k9m s ASP 72 CO 0.77 -0.01 -0.07 -0.62 0.21 0.00 0.00 175.17 175.45 1k9m s ASP 73 N -3.64 3.66 0.15 0.27 -1.08 -1.26 -4.69 116.67 110.08 1k9m s ASP 73 Ca 0.32 -1.06 -0.20 0.00 -0.52 0.00 0.00 52.55 51.10 1k9m s ASP 73 Cb -0.09 -1.20 0.05 0.00 -1.46 0.00 0.00 42.92 40.23 1k9m s ASP 73 CO 0.25 -0.20 1.66 0.00 0.52 0.00 0.00 175.17 177.39 1k9m h ALA 74 N 7.96 0.07 -0.87 3.66 0.00 -1.85 -1.86 119.26 126.38 1k9m h ALA 74 Ca -0.22 0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.03 1k9m h ALA 74 Cb 1.08 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 1k9m h ALA 74 CO 0.44 -0.55 0.26 1.96 0.00 0.00 0.00 179.25 181.35 1k9m h GLN 75 N -0.12 0.24 -0.06 0.00 4.20 -1.92 -0.59 115.11 116.86 1k9m h GLN 75 Ca 0.16 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1k9m h GLN 75 Cb 0.35 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1k9m h GLN 75 CO -0.37 0.16 -0.40 0.93 -0.67 0.00 0.00 178.83 178.47 1k9m h GLU 76 N 0.25 0.38 -0.92 1.46 5.08 -1.83 -2.36 114.58 116.63 1k9m h GLU 76 Ca 0.54 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1k9m h GLU 76 Cb 1.07 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1k9m h GLU 76 CO -0.62 0.98 0.60 0.28 -1.00 0.00 0.00 179.01 179.25 1k9m h VAL 77 N -0.11 1.15 0.00 3.13 2.07 -0.66 -2.04 116.25 119.79 1k9m h VAL 77 Ca -0.03 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1k9m h VAL 77 Cb 1.07 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1k9m h VAL 77 CO 0.08 0.21 -0.46 0.00 0.02 0.00 0.00 177.57 177.42 1k9m h ALA 78 N 1.47 0.74 0.00 1.67 0.00 -1.16 -3.30 119.26 118.68 1k9m h ALA 78 Ca 0.37 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1k9m h ALA 78 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k9m h ALA 78 CO -0.11 0.58 -0.23 0.66 0.00 0.00 0.00 179.25 180.14 1k9m h SER 79 N 0.00 0.00 0.00 0.00 4.64 -0.80 -2.90 113.55 114.49 1k9m h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k9m h SER 79 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1k9m h SER 79 CO 0.06 0.23 0.00 -2.11 -0.87 0.00 0.00 176.83 174.14 1k9m n ARG 80 N -3.90 0.93 0.00 4.77 1.85 -1.19 -5.10 116.66 114.01 1k9m n ARG 80 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1k9m n ARG 80 Cb 0.32 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1k9m n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06