#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s TRP 2 N 0.00 3.75 0.29 0.66 1.48 -1.26 -5.07 118.94 118.79 1q82 s TRP 2 Ca 0.00 1.60 -0.09 0.00 -1.06 0.00 0.00 56.10 56.55 1q82 s TRP 2 Cb 0.00 -2.77 -0.07 0.00 -1.16 0.00 0.00 33.47 29.48 1q82 s TRP 2 CO 0.00 0.35 0.62 -0.51 -4.06 0.00 0.00 176.95 173.35 1q82 s ASP 3 N -1.48 6.57 -0.06 -2.66 1.01 -1.26 -5.04 116.67 113.74 1q82 s ASP 3 Ca 0.43 0.94 -0.24 0.00 0.71 0.00 0.00 52.55 54.39 1q82 s ASP 3 Cb -0.19 -2.24 -0.19 0.00 1.01 0.00 0.00 42.92 41.30 1q82 s ASP 3 CO 0.24 -0.19 0.99 0.58 0.21 0.00 0.00 175.17 177.00 1q82 h VAL 4 N 1.62 1.25 -3.33 -1.27 2.07 -1.97 -3.39 116.25 111.23 1q82 h VAL 4 Ca -0.47 -1.40 -0.57 0.00 0.82 0.00 0.00 66.70 65.08 1q82 h VAL 4 Cb 1.18 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 33.00 1q82 h VAL 4 CO 0.67 0.33 -0.08 -0.63 0.02 0.00 0.00 177.57 177.88 1q82 s ILE 5 N -3.45 5.13 -0.23 4.57 1.01 -1.26 -1.71 121.20 125.25 1q82 s ILE 5 Ca -0.15 1.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 1q82 s ILE 5 Cb 0.00 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.42 1q82 s ILE 5 CO 0.59 0.32 -0.01 0.29 0.00 0.00 0.00 174.94 176.13 1q82 n LYS 6 N 3.57 0.60 0.00 2.79 5.02 0.85 -4.93 118.16 126.05 1q82 n LYS 6 Ca -0.06 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1q82 n LYS 6 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1q82 n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1q82 n HIS 7 N -4.22 0.00 -2.41 2.13 1.44 -1.10 -5.00 115.22 106.06 1q82 n HIS 7 Ca -0.41 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 54.87 1q82 n HIS 7 Cb 0.81 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.89 1q82 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1q82 s PRO 8 N -2.00 4.40 -0.62 -1.40 0.02 -1.26 -0.30 135.00 133.83 1q82 s PRO 8 Ca 0.00 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 62.54 1q82 s PRO 8 Cb 0.00 -3.43 0.05 0.00 0.02 0.00 0.00 34.50 31.14 1q82 s PRO 8 CO 0.00 -0.34 1.01 -1.58 -0.33 0.00 0.00 177.00 175.76 1q82 s HIS 9 N 1.51 2.66 -0.36 6.54 2.46 -0.45 -4.83 115.29 122.81 1q82 s HIS 9 Ca 0.58 -0.22 -0.06 0.00 0.47 0.00 0.00 55.06 55.83 1q82 s HIS 9 Cb -0.28 -4.27 0.06 0.00 -0.13 0.00 0.00 32.58 27.96 1q82 s HIS 9 CO 0.27 -1.59 0.15 0.54 -2.47 0.00 0.00 174.74 171.63 1q82 s VAL 10 N 4.32 3.76 0.21 0.89 0.11 -1.26 -4.57 120.40 123.85 1q82 s VAL 10 Ca 0.28 -1.34 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 1q82 s VAL 10 Cb -0.13 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.45 1q82 s VAL 10 CO 0.15 -0.32 0.21 0.42 -3.33 0.00 0.00 175.10 172.23 1q82 s THR 11 N 1.36 0.01 0.17 5.04 -4.23 -1.26 -5.00 115.64 111.73 1q82 s THR 11 Ca 0.00 -1.84 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 1q82 s THR 11 Cb -0.21 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1q82 s THR 11 CO 0.01 -0.03 1.63 -0.33 -0.54 0.00 0.00 174.62 175.36 1q82 h GLU 12 N 2.55 -0.12 -0.92 3.99 3.07 -1.99 0.23 114.58 121.38 1q82 h GLU 12 Ca -0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1q82 h GLU 12 Cb 1.25 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1q82 h GLU 12 CO 0.49 -0.08 0.59 -0.22 -1.40 0.00 0.00 179.01 178.39 1q82 h LYS 13 N -0.12 1.22 -0.80 2.33 3.64 -1.99 -1.29 116.57 119.56 1q82 h LYS 13 Ca 0.20 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1q82 h LYS 13 Cb 0.44 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1q82 h LYS 13 CO -0.50 0.83 0.53 0.00 -2.27 0.00 0.00 179.45 178.03 1q82 h ALA 14 N 1.32 1.48 -0.07 5.00 0.00 -1.39 -2.17 119.26 123.43 1q82 h ALA 14 Ca 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1q82 h ALA 14 Cb -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1q82 h ALA 14 CO -0.07 0.46 0.03 0.52 0.00 0.00 0.00 179.25 180.19 1q82 h MET 15 N 1.03 0.10 -0.93 0.00 2.86 0.10 -1.99 114.93 116.09 1q82 h MET 15 Ca 0.31 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.02 1q82 h MET 15 Cb -0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 1q82 h MET 15 CO -0.08 0.19 0.57 -0.91 1.06 0.00 0.00 176.91 177.74 1q82 h ASN 16 N -0.01 0.87 -0.52 1.22 2.35 -0.78 0.21 115.58 118.93 1q82 h ASN 16 Ca 0.02 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1q82 h ASN 16 Cb 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1q82 h ASN 16 CO -0.00 0.52 0.11 0.44 -1.65 0.00 0.00 177.43 176.84 1q82 h ASP 17 N 0.98 0.85 -0.10 5.81 5.19 -1.26 -0.26 116.42 127.62 1q82 h ASP 17 Ca 0.43 -0.17 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 1q82 h ASP 17 Cb 0.31 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1q82 h ASP 17 CO -0.22 0.85 -0.27 -0.03 -3.12 0.00 0.00 179.24 176.45 1q82 h MET 18 N 0.85 0.36 -0.07 3.56 4.05 -0.29 0.97 114.93 124.37 1q82 h MET 18 Ca 0.18 -0.25 -0.23 0.00 -0.28 0.00 0.00 59.70 59.12 1q82 h MET 18 Cb 0.36 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1q82 h MET 18 CO 0.01 0.87 -0.87 -0.44 0.23 0.00 0.00 176.91 176.70 1q82 h ASP 19 N -0.09 0.79 0.00 1.39 3.32 -0.60 -2.96 116.42 118.28 1q82 h ASP 19 Ca -0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1q82 h ASP 19 Cb 0.88 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1q82 h ASP 19 CO 0.06 1.36 -1.91 0.49 -1.72 0.00 0.00 179.24 177.52 1q82 n PHE 20 N -3.86 0.00 -0.08 4.55 0.99 -0.12 -4.62 117.46 114.31 1q82 n PHE 20 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 1q82 n PHE 20 Cb 0.79 -0.46 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 1q82 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1q82 n GLN 21 N -2.19 1.82 -3.20 -1.08 6.02 0.23 -5.02 117.38 113.95 1q82 n GLN 21 Ca -0.03 -0.26 -0.16 0.00 -0.01 0.00 0.00 57.00 56.54 1q82 n GLN 21 Cb 0.55 -0.74 0.06 0.00 1.02 0.00 0.00 30.24 31.13 1q82 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q82 n ASN 22 N -0.33 -3.87 -4.44 1.08 5.15 -0.55 -4.82 115.26 107.48 1q82 n ASN 22 Ca 0.00 -0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 53.27 1q82 n ASN 22 Cb 0.02 -3.89 -0.12 0.00 -0.53 0.00 0.00 39.78 35.26 1q82 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1q82 s LYS 23 N -5.56 1.58 -0.04 1.20 1.02 -0.92 -1.53 119.74 115.49 1q82 s LYS 23 Ca 0.25 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.96 1q82 s LYS 23 Cb -0.11 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1q82 s LYS 23 CO 0.54 0.45 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.70 1q82 s LEU 24 N -2.27 2.00 -0.09 3.17 1.43 0.36 -3.19 118.68 120.08 1q82 s LEU 24 Ca 0.17 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1q82 s LEU 24 Cb -0.10 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1q82 s LEU 24 CO 0.09 0.21 -0.03 -1.10 0.23 0.00 0.00 176.35 175.74 1q82 s GLN 25 N -0.15 2.98 0.07 1.70 -0.21 -1.26 0.27 119.66 123.06 1q82 s GLN 25 Ca -0.01 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 54.91 1q82 s GLN 25 Cb -0.12 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 1q82 s GLN 25 CO 0.02 0.62 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.68 1q82 s PHE 26 N -0.68 0.79 -0.29 0.91 0.40 -0.11 -1.34 117.98 117.66 1q82 s PHE 26 Ca 0.10 -0.73 -0.15 0.00 -0.60 0.00 0.00 56.93 55.56 1q82 s PHE 26 Cb -0.12 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.92 1q82 s PHE 26 CO 0.02 -0.12 0.36 0.00 0.70 0.00 0.00 175.22 176.18 1q82 s ALA 27 N -2.62 3.54 0.30 5.36 0.00 0.58 -1.17 121.76 127.76 1q82 s ALA 27 Ca 0.02 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1q82 s ALA 27 Cb -0.02 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1q82 s ALA 27 CO -0.03 -0.78 -0.06 0.14 0.00 0.00 0.00 175.76 175.03 1q82 s VAL 28 N 2.05 1.81 -0.00 0.00 -7.23 0.14 -0.11 120.40 117.07 1q82 s VAL 28 Ca 0.14 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1q82 s VAL 28 Cb -0.16 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 1q82 s VAL 28 CO 0.11 -0.25 1.51 -0.62 -0.31 0.00 0.00 175.10 175.53 1q82 s ASP 29 N -3.50 6.76 0.00 4.85 -1.08 -0.70 -3.40 116.67 119.60 1q82 s ASP 29 Ca 0.31 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 54.54 1q82 s ASP 29 Cb 0.04 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1q82 s ASP 29 CO 0.14 -0.81 0.79 -0.90 0.52 0.00 0.00 175.17 174.91 1q82 n ASP 30 N 5.86 0.00 -0.11 -0.34 5.75 -1.26 0.01 116.55 126.46 1q82 n ASP 30 Ca 0.15 0.30 0.12 0.00 -0.01 0.00 0.00 54.79 55.35 1q82 n ASP 30 Cb 0.43 -0.30 0.23 0.00 -1.03 0.00 0.00 41.12 40.45 1q82 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q82 n ARG 31 N -1.29 0.33 -2.70 0.11 1.74 -1.26 -4.91 116.66 108.68 1q82 n ARG 31 Ca 0.00 -0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 56.46 1q82 n ARG 31 Cb 0.15 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1q82 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q82 s ALA 32 N -2.81 3.29 0.68 7.54 0.00 0.10 -5.07 121.76 125.49 1q82 s ALA 32 Ca 0.15 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 1q82 s ALA 32 Cb 0.18 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 20.11 1q82 s ALA 32 CO 0.66 0.00 0.96 -1.54 0.00 0.00 0.00 175.76 175.84 1q82 s SER 33 N -0.32 4.69 0.19 0.00 1.04 -1.26 -4.89 113.70 113.16 1q82 s SER 33 Ca 0.46 0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.85 1q82 s SER 33 Cb -0.25 -0.67 0.12 0.00 0.10 0.00 0.00 66.02 65.32 1q82 s SER 33 CO 0.31 -1.62 1.84 0.11 0.98 0.00 0.00 173.24 174.86 1q82 h LYS 34 N -0.46 0.92 -0.00 4.02 1.57 -1.97 -0.87 116.57 119.78 1q82 h LYS 34 Ca -0.41 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1q82 h LYS 34 Cb 1.29 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 1q82 h LYS 34 CO 0.51 0.65 -0.20 0.78 -0.57 0.00 0.00 179.45 180.61 1q82 h GLY 35 N 0.92 -0.28 0.97 3.86 0.00 -1.97 -0.23 103.07 106.34 1q82 h GLY 35 Ca 0.24 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1q82 h GLY 35 CO -0.05 -0.18 0.26 0.83 0.00 0.00 0.00 176.54 177.40 1q82 h GLU 36 N -0.32 0.51 -0.80 4.80 5.08 -1.86 -1.78 114.58 120.20 1q82 h GLU 36 Ca 0.06 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1q82 h GLU 36 Cb 0.40 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1q82 h GLU 36 CO -0.19 0.33 0.46 0.28 -1.00 0.00 0.00 179.01 178.90 1q82 h VAL 37 N 0.52 0.92 0.37 3.13 2.07 -0.72 0.46 116.25 123.00 1q82 h VAL 37 Ca 0.15 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1q82 h VAL 37 Cb -0.04 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1q82 h VAL 37 CO -0.05 0.14 -0.20 0.00 0.02 0.00 0.00 177.57 177.48 1q82 h ALA 38 N 1.44 -0.53 0.93 1.67 0.00 -0.51 -1.55 119.26 120.71 1q82 h ALA 38 Ca 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1q82 h ALA 38 Cb 0.33 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1q82 h ALA 38 CO -0.23 -0.81 -0.46 -0.44 0.00 0.00 0.00 179.25 177.31 1q82 h ASP 39 N -0.54 -1.11 -0.98 0.00 3.32 -0.85 -1.79 116.42 114.46 1q82 h ASP 39 Ca -0.04 0.04 0.27 0.00 0.02 0.00 0.00 57.03 57.32 1q82 h ASP 39 Cb 0.43 0.29 -0.14 0.00 0.22 0.00 0.00 39.33 40.14 1q82 h ASP 39 CO 0.06 -0.77 0.54 0.00 -1.72 0.00 0.00 179.24 177.34 1q82 h ALA 40 N -1.21 1.79 -0.19 3.45 0.00 -0.95 -0.43 119.26 121.72 1q82 h ALA 40 Ca -0.13 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q82 h ALA 40 Cb 0.98 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1q82 h ALA 40 CO 0.20 -0.42 0.02 0.28 0.00 0.00 0.00 179.25 179.34 1q82 h VAL 41 N 0.43 1.23 -0.65 0.00 2.07 -0.99 -2.39 116.25 115.95 1q82 h VAL 41 Ca 0.67 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1q82 h VAL 41 Cb 1.39 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1q82 h VAL 41 CO -0.55 0.24 0.29 -0.33 0.02 0.00 0.00 177.57 177.24 1q82 h GLU 42 N 0.11 0.95 0.00 1.57 5.08 -0.22 -2.27 114.58 119.79 1q82 h GLU 42 Ca 0.06 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1q82 h GLU 42 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1q82 h GLU 42 CO 0.01 0.78 -0.42 0.93 -1.00 0.00 0.00 179.01 179.30 1q82 h GLU 43 N 0.90 0.00 0.09 2.33 5.08 -1.34 0.45 114.58 122.09 1q82 h GLU 43 Ca 0.22 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.30 1q82 h GLU 43 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1q82 h GLU 43 CO -0.02 0.42 -1.36 1.96 -1.00 0.00 0.00 179.01 179.00 1q82 h GLN 44 N 0.00 0.19 -0.00 2.33 1.08 -1.21 -3.38 115.11 114.11 1q82 h GLN 44 Ca -0.00 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1q82 h GLN 44 Cb 0.74 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1q82 h GLN 44 CO 0.05 1.07 -0.01 0.66 -0.95 0.00 0.00 178.83 179.65 1q82 n TYR 45 N -3.42 0.00 -3.25 2.96 4.02 -0.87 -5.04 117.16 111.56 1q82 n TYR 45 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 1q82 n TYR 45 Cb 1.02 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.37 1q82 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1q82 n ASP 46 N 0.17 -6.92 -2.50 7.72 -0.08 0.16 -5.04 116.55 110.06 1q82 n ASP 46 Ca 0.02 -0.45 -0.13 0.00 -1.51 0.00 0.00 54.79 52.72 1q82 n ASP 46 Cb 0.10 -4.76 -0.05 0.00 2.34 0.00 0.00 41.12 38.75 1q82 n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1q82 n VAL 47 N -2.58 0.00 -3.95 5.18 0.24 -1.19 -5.07 118.33 110.96 1q82 n VAL 47 Ca -0.06 -1.64 -0.33 0.00 -2.04 0.00 0.00 64.34 60.27 1q82 n VAL 47 Cb 0.56 0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 33.61 1q82 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1q82 s THR 48 N -2.91 2.63 -0.07 3.34 2.01 -1.26 -4.66 115.64 114.72 1q82 s THR 48 Ca 0.27 -1.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 1q82 s THR 48 Cb 0.01 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1q82 s THR 48 CO 0.19 -0.43 1.30 -0.69 -0.69 0.00 0.00 174.62 174.31 1q82 s VAL 49 N 1.06 4.07 -0.16 3.82 1.01 -1.26 -0.96 120.40 127.97 1q82 s VAL 49 Ca 0.04 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1q82 s VAL 49 Cb -0.20 -3.89 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 1q82 s VAL 49 CO -0.05 -0.04 0.19 -0.62 0.00 0.00 0.00 175.10 174.57 1q82 n GLU 50 N 5.78 0.72 -3.63 2.72 -0.58 0.52 -4.89 120.64 121.29 1q82 n GLU 50 Ca 0.13 0.24 -0.15 0.00 -0.42 0.00 0.00 57.16 56.96 1q82 n GLU 50 Cb 0.45 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 1q82 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1q82 s GLN 51 N -2.54 0.90 -0.03 3.49 0.74 -1.05 -5.00 119.66 116.16 1q82 s GLN 51 Ca -0.26 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.16 1q82 s GLN 51 Cb 0.07 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1q82 s GLN 51 CO 0.71 -0.28 -0.07 0.08 -0.55 0.00 0.00 175.29 175.19 1q82 s VAL 52 N -1.47 0.64 -0.04 1.34 1.01 -1.26 -0.74 120.40 119.89 1q82 s VAL 52 Ca -0.11 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1q82 s VAL 52 Cb -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1q82 s VAL 52 CO 0.06 0.22 -0.19 0.20 0.00 0.00 0.00 175.10 175.39 1q82 s ASN 53 N 0.47 2.36 0.27 3.32 0.01 -0.06 -4.95 114.94 116.35 1q82 s ASN 53 Ca -0.07 -0.38 0.12 0.00 -0.71 0.00 0.00 52.86 51.82 1q82 s ASN 53 Cb -0.11 -0.51 -0.05 0.00 0.41 0.00 0.00 41.25 40.99 1q82 s ASN 53 CO 0.00 0.20 -0.19 0.42 -1.51 0.00 0.00 177.10 176.02 1q82 s THR 54 N -0.17 2.51 -0.23 1.60 -4.23 -1.26 0.56 115.64 114.42 1q82 s THR 54 Ca 0.00 -2.35 -0.12 0.00 -1.18 0.00 0.00 61.69 58.05 1q82 s THR 54 Cb -0.10 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1q82 s THR 54 CO 0.01 -0.37 0.54 -1.58 -0.54 0.00 0.00 174.62 172.69 1q82 s GLN 55 N -3.43 0.54 -0.42 3.99 0.74 0.48 -4.98 119.66 116.58 1q82 s GLN 55 Ca 0.29 1.03 -0.23 0.00 0.05 0.00 0.00 55.36 56.50 1q82 s GLN 55 Cb -0.05 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.19 1q82 s GLN 55 CO 0.15 -0.16 0.79 -0.80 -0.55 0.00 0.00 175.29 174.72 1q82 s ASN 56 N 1.66 6.46 0.58 6.67 0.01 -1.26 0.49 114.94 129.55 1q82 s ASN 56 Ca -0.09 0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 51.97 1q82 s ASN 56 Cb -0.07 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1q82 s ASN 56 CO -0.16 -0.86 1.03 -0.89 -1.51 0.00 0.00 177.10 174.70 1q82 s THR 57 N 3.26 4.23 -0.89 1.60 2.01 0.14 -4.93 115.64 121.06 1q82 s THR 57 Ca 0.31 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1q82 s THR 57 Cb -0.12 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1q82 s THR 57 CO 0.21 -0.72 0.43 0.23 -0.69 0.00 0.00 174.62 174.09 1q82 n MET 58 N -2.14 0.78 -0.05 4.92 2.81 -1.26 -1.74 117.12 120.44 1q82 n MET 58 Ca 0.07 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 1q82 n MET 58 Cb 0.54 -1.36 0.06 0.00 -0.71 0.00 0.00 33.22 31.75 1q82 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1q82 n ASP 59 N 0.17 2.08 0.00 7.83 10.43 -1.26 -4.95 116.55 130.84 1q82 n ASP 59 Ca 0.00 -1.64 0.00 0.00 2.57 0.00 0.00 54.79 55.72 1q82 n ASP 59 Cb 0.22 -0.07 0.00 0.00 1.84 0.00 0.00 41.12 43.10 1q82 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q82 n GLY 60 N 0.28 1.59 3.76 0.44 0.00 -0.71 -5.02 105.19 105.53 1q82 n GLY 60 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1q82 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 61 N -0.28 2.38 -0.17 1.61 2.02 -1.26 -4.92 118.70 118.09 1q82 s GLU 61 Ca 0.00 -1.58 -0.07 0.00 0.02 0.00 0.00 54.97 53.34 1q82 s GLU 61 Cb 0.00 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 1q82 s GLU 61 CO 0.00 0.04 0.07 0.21 0.02 0.00 0.00 175.26 175.60 1q82 s LYS 62 N -3.89 3.87 -0.07 1.61 2.20 -1.22 0.28 119.74 122.52 1q82 s LYS 62 Ca 0.39 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1q82 s LYS 62 Cb -0.02 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1q82 s LYS 62 CO 0.23 0.36 -0.08 0.21 -0.36 0.00 0.00 175.35 175.72 1q82 s LYS 63 N 0.13 2.77 -0.11 4.03 2.20 0.18 -0.68 119.74 128.26 1q82 s LYS 63 Ca 0.06 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1q82 s LYS 63 Cb -0.12 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1q82 s LYS 63 CO 0.00 0.63 -0.19 0.00 -0.36 0.00 0.00 175.35 175.43 1q82 s ALA 64 N -0.73 1.94 -0.38 3.13 0.00 -0.31 -0.39 121.76 125.02 1q82 s ALA 64 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1q82 s ALA 64 Cb -0.11 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1q82 s ALA 64 CO 0.01 0.07 0.23 0.08 0.00 0.00 0.00 175.76 176.16 1q82 s VAL 65 N 0.70 4.69 -0.26 0.00 1.01 0.19 -0.93 120.40 125.80 1q82 s VAL 65 Ca -0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1q82 s VAL 65 Cb -0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1q82 s VAL 65 CO 0.02 -0.27 0.04 -0.69 0.00 0.00 0.00 175.10 174.20 1q82 s VAL 66 N 1.57 3.87 -0.19 2.92 1.01 0.14 -0.88 120.40 128.83 1q82 s VAL 66 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1q82 s VAL 66 Cb -0.19 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1q82 s VAL 66 CO 0.07 0.27 0.33 -0.60 0.00 0.00 0.00 175.10 175.17 1q82 s ARG 67 N 1.53 4.19 0.50 2.72 3.52 0.08 0.13 118.95 131.62 1q82 s ARG 67 Ca 0.05 0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1q82 s ARG 67 Cb -0.16 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1q82 s ARG 67 CO 0.01 0.06 0.76 -0.51 -0.81 0.00 0.00 175.30 174.81 1q82 s LEU 68 N 1.02 3.51 0.62 -0.88 1.43 -0.58 -0.36 118.68 123.44 1q82 s LEU 68 Ca 0.17 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.61 1q82 s LEU 68 Cb -0.14 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1q82 s LEU 68 CO 0.06 -0.81 1.06 -0.94 0.23 0.00 0.00 176.35 175.95 1q82 s SER 69 N -4.24 5.62 0.62 2.29 1.04 -0.13 -4.65 113.70 114.25 1q82 s SER 69 Ca 0.50 1.79 0.29 0.00 0.48 0.00 0.00 55.95 59.01 1q82 s SER 69 Cb -0.10 -2.53 1.55 0.00 0.10 0.00 0.00 66.02 65.05 1q82 s SER 69 CO 0.41 -1.28 1.92 -0.33 0.98 0.00 0.00 173.24 174.94 1q82 h GLU 70 N 0.13 0.00 -0.35 4.02 5.08 -1.97 0.21 114.58 121.71 1q82 h GLU 70 Ca -0.46 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.83 1q82 h GLU 70 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1q82 h GLU 70 CO 0.57 0.00 -0.07 0.22 -1.00 0.00 0.00 179.01 178.73 1q82 h ASP 71 N 0.00 0.55 -2.11 1.42 1.82 -1.96 -3.44 116.42 112.70 1q82 h ASP 71 Ca 0.11 -0.13 -0.45 0.00 -0.39 0.00 0.00 57.03 56.16 1q82 h ASP 71 Cb 0.89 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.75 1q82 h ASP 71 CO -0.00 0.67 -0.34 -1.81 -1.61 0.00 0.00 179.24 176.14 1q82 s ASP 72 N -6.74 6.11 -0.26 2.28 1.01 0.75 -5.10 116.67 114.73 1q82 s ASP 72 Ca -0.08 0.00 -0.01 0.00 0.71 0.00 0.00 52.55 53.18 1q82 s ASP 72 Cb 0.15 -1.55 0.08 0.00 1.01 0.00 0.00 42.92 42.60 1q82 s ASP 72 CO 0.78 -0.31 0.03 -0.62 0.21 0.00 0.00 175.17 175.26 1q82 s ASP 73 N -4.10 3.72 0.17 0.27 -1.08 -1.26 -4.74 116.67 109.65 1q82 s ASP 73 Ca 0.41 -1.30 -0.23 0.00 -0.52 0.00 0.00 52.55 50.91 1q82 s ASP 73 Cb -0.09 -0.94 0.06 0.00 -1.46 0.00 0.00 42.92 40.49 1q82 s ASP 73 CO 0.31 -0.33 1.60 0.00 0.52 0.00 0.00 175.17 177.28 1q82 h ALA 74 N 8.05 -0.17 -0.96 3.66 0.00 -1.84 -0.67 119.26 127.34 1q82 h ALA 74 Ca -0.15 0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.16 1q82 h ALA 74 Cb 1.06 0.71 -0.17 0.00 0.00 0.00 0.00 17.79 19.39 1q82 h ALA 74 CO 0.42 -0.72 0.22 1.96 0.00 0.00 0.00 179.25 181.13 1q82 h GLN 75 N -0.24 0.08 0.01 0.00 4.20 -1.92 0.45 115.11 117.69 1q82 h GLN 75 Ca 0.18 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1q82 h GLN 75 Cb 0.54 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1q82 h GLN 75 CO -0.55 0.05 -0.54 0.93 -0.67 0.00 0.00 178.83 178.05 1q82 h GLU 76 N 0.08 0.36 -0.91 1.46 5.08 -1.58 -2.41 114.58 116.66 1q82 h GLU 76 Ca 0.64 -0.39 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1q82 h GLU 76 Cb 1.42 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.72 1q82 h GLU 76 CO -0.79 1.08 0.57 0.28 -1.00 0.00 0.00 179.01 179.14 1q82 h VAL 77 N -0.20 1.00 0.00 3.13 2.07 -0.18 -1.29 116.25 120.78 1q82 h VAL 77 Ca -0.07 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1q82 h VAL 77 Cb 1.27 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1q82 h VAL 77 CO 0.11 0.18 -0.39 0.00 0.02 0.00 0.00 177.57 177.49 1q82 h ALA 78 N 1.45 0.87 0.00 1.67 0.00 -1.02 -3.24 119.26 118.99 1q82 h ALA 78 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1q82 h ALA 78 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q82 h ALA 78 CO -0.21 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.19 1q82 h SER 79 N 0.00 0.00 -0.21 0.00 4.64 -0.70 -2.94 113.55 114.34 1q82 h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q82 h SER 79 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1q82 h SER 79 CO 0.05 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.90 1q82 n ARG 80 N -2.90 1.66 0.00 4.77 1.85 -1.20 -5.10 116.66 115.74 1q82 n ARG 80 Ca 0.00 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.85 1q82 n ARG 80 Cb 0.25 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1q82 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06