#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s ARG 8 N 0.00 1.55 -0.14 5.31 1.70 -0.37 -4.99 118.95 122.01 1q81 s ARG 8 Ca 0.00 -0.88 -0.02 0.00 -0.47 0.00 0.00 55.73 54.36 1q81 s ARG 8 Cb 0.00 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1q81 s ARG 8 CO 0.00 -0.71 -0.08 0.08 -1.08 0.00 0.00 175.30 173.51 1q81 s VAL 9 N -3.48 3.54 0.04 4.99 1.01 -1.26 -1.37 120.40 123.87 1q81 s VAL 9 Ca 0.12 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1q81 s VAL 9 Cb -0.04 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1q81 s VAL 9 CO 0.05 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 1q81 s VAL 10 N 0.31 0.99 -0.32 2.92 1.01 0.84 -4.97 120.40 121.17 1q81 s VAL 10 Ca -0.06 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1q81 s VAL 10 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1q81 s VAL 10 CO 0.04 -0.05 0.28 -0.89 0.00 0.00 0.00 175.10 174.48 1q81 s THR 11 N -0.90 5.24 -0.23 3.92 2.01 -1.26 -0.08 115.64 124.34 1q81 s THR 11 Ca -0.00 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1q81 s THR 11 Cb -0.08 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1q81 s THR 11 CO 0.01 0.03 0.23 -0.63 -0.69 0.00 0.00 174.62 173.56 1q81 s ILE 12 N 1.86 5.31 -0.09 1.82 -1.09 -0.58 -4.93 121.20 123.50 1q81 s ILE 12 Ca 0.09 0.32 -0.24 0.00 -2.23 0.00 0.00 60.65 58.59 1q81 s ILE 12 Cb -0.17 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1q81 s ILE 12 CO 0.11 0.31 0.75 -2.16 -1.23 0.00 0.00 174.94 172.72 1q81 s PRO 13 N 1.18 4.41 -0.47 2.79 0.04 -1.26 -2.08 135.00 139.62 1q81 s PRO 13 Ca 0.11 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.12 1q81 s PRO 13 Cb -0.14 -3.48 0.46 0.00 0.04 0.00 0.00 34.50 31.38 1q81 s PRO 13 CO 0.06 -0.05 1.60 1.28 0.04 0.00 0.00 177.00 179.93 1q81 n LEU 14 N 4.17 6.20 0.16 -3.56 4.77 -0.15 -4.66 117.00 123.92 1q81 n LEU 14 Ca 0.01 -4.49 0.03 0.00 -0.03 0.00 0.00 56.01 51.54 1q81 n LEU 14 Cb 0.51 -0.65 0.20 0.00 -2.33 0.00 0.00 43.42 41.14 1q81 n LEU 14 CO 0.48 1.77 0.57 0.08 -1.33 0.00 0.00 177.39 178.95 1q81 h ARG 15 N 2.03 0.00 0.00 3.23 0.11 -1.93 -3.08 114.38 114.75 1q81 h ARG 15 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1q81 h ARG 15 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1q81 h ARG 15 CO 1.13 0.47 0.00 -0.25 0.10 0.00 0.00 179.97 181.43 1q81 n ASP 16 N -3.43 0.00 0.07 0.08 8.00 -1.26 -3.01 116.55 116.99 1q81 n ASP 16 Ca 0.00 -0.50 0.12 0.00 0.71 0.00 0.00 54.79 55.13 1q81 n ASP 16 Cb 0.62 -0.15 0.46 0.00 -0.02 0.00 0.00 41.12 42.03 1q81 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n ALA 17 N -1.15 2.02 0.42 2.24 0.00 -1.16 -2.67 120.51 120.21 1q81 n ALA 17 Ca 0.18 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1q81 n ALA 17 Cb 0.17 -1.41 0.30 0.00 0.00 0.00 0.00 19.45 18.51 1q81 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q81 h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.76 -3.06 114.38 112.64 1q81 h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q81 h ARG 18 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1q81 h ARG 18 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1q81 n ALA 19 N -1.94 2.03 -2.74 0.04 0.00 -1.09 -4.66 120.51 112.14 1q81 n ALA 19 Ca 0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1q81 n ALA 19 Cb 0.47 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 1q81 n ALA 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1q81 s GLU 20 N -2.79 3.16 -0.20 0.00 2.56 -1.16 -5.04 118.70 115.24 1q81 s GLU 20 Ca 0.15 -0.47 -0.41 0.00 0.00 0.00 0.00 54.97 54.24 1q81 s GLU 20 Cb 0.14 -2.79 -0.19 0.00 2.00 0.00 0.00 34.13 33.28 1q81 s GLU 20 CO 0.35 0.54 1.23 -0.35 -0.56 0.00 0.00 175.26 176.48 1q81 n PRO 21 N 2.62 0.00 -0.36 4.30 -0.04 -1.26 -4.76 135.00 135.50 1q81 n PRO 21 Ca -0.18 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.56 1q81 n PRO 21 Cb 0.53 -1.44 0.54 0.00 -0.04 0.00 0.00 33.50 33.09 1q81 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1q81 h ASN 22 N 3.66 0.42 0.00 3.54 2.35 -1.89 0.12 115.58 123.78 1q81 h ASN 22 Ca -0.46 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1q81 h ASN 22 Cb 1.35 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1q81 h ASN 22 CO 0.75 -0.10 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 1q81 n HIS 23 N -4.85 0.00 -2.08 1.19 1.44 -1.26 -2.48 115.22 107.17 1q81 n HIS 23 Ca 0.32 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.06 1q81 n HIS 23 Cb 1.10 0.00 0.11 0.00 0.12 0.00 0.00 29.99 31.31 1q81 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q81 n LYS 24 N -0.95 1.09 -0.04 -1.40 5.02 0.42 -4.50 118.16 117.80 1q81 n LYS 24 Ca 0.12 -2.84 -0.12 0.00 -2.02 0.00 0.00 58.31 53.44 1q81 n LYS 24 Cb 0.05 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.99 1q81 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q81 h ARG 25 N 1.19 0.20 -0.38 1.97 3.08 -1.05 -3.00 114.38 116.40 1q81 h ARG 25 Ca -0.08 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1q81 h ARG 25 Cb 1.43 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.38 1q81 h ARG 25 CO 0.11 0.54 -0.25 0.00 -1.07 0.00 0.00 179.97 179.29 1q81 h ALA 26 N 0.66 -0.04 -0.63 0.04 0.00 -1.09 0.43 119.26 118.63 1q81 h ALA 26 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1q81 h ALA 26 Cb 0.47 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1q81 h ALA 26 CO 0.01 -0.64 0.32 -0.44 0.00 0.00 0.00 179.25 178.50 1q81 h ASP 27 N -0.20 0.43 -0.11 0.00 3.45 -1.82 -1.74 116.42 116.45 1q81 h ASP 27 Ca 0.18 0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.54 1q81 h ASP 27 Cb 0.48 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1q81 h ASP 27 CO -0.49 0.28 -0.44 0.50 -1.57 0.00 0.00 179.24 177.51 1q81 h LYS 28 N 0.58 0.66 0.10 3.56 1.63 -1.08 -2.75 116.57 119.27 1q81 h LYS 28 Ca 0.29 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1q81 h LYS 28 Cb 0.24 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1q81 h LYS 28 CO -0.21 0.97 -0.15 0.00 -3.45 0.00 0.00 179.45 176.60 1q81 h ALA 29 N 0.98 -0.80 -0.64 5.00 0.00 0.45 -0.61 119.26 123.63 1q81 h ALA 29 Ca 0.04 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1q81 h ALA 29 Cb 0.98 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 1q81 h ALA 29 CO 0.09 -0.82 -0.25 -0.12 0.00 0.00 0.00 179.25 178.15 1q81 n MET 30 N -3.24 -0.15 -0.32 0.00 0.00 -0.71 0.26 117.12 112.96 1q81 n MET 30 Ca -0.03 0.99 0.01 0.00 0.00 0.00 0.00 57.70 58.67 1q81 n MET 30 Cb 0.13 -1.47 0.18 0.00 0.00 0.00 0.00 33.22 32.06 1q81 n MET 30 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1q81 h ILE 31 N 0.00 1.18 -0.35 1.12 2.04 -1.15 -2.47 117.51 117.88 1q81 h ILE 31 Ca 0.22 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1q81 h ILE 31 Cb 0.38 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1q81 h ILE 31 CO -0.64 0.21 0.13 -0.07 0.00 0.00 0.00 178.15 177.79 1q81 h LEU 32 N 1.18 0.49 0.24 1.44 3.38 0.52 -1.55 115.31 121.01 1q81 h LEU 32 Ca 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1q81 h LEU 32 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1q81 h LEU 32 CO -0.10 0.53 -0.37 0.40 0.09 0.00 0.00 178.44 178.99 1q81 h ILE 33 N 0.42 0.00 -0.88 1.22 2.04 -0.75 -0.82 117.51 118.74 1q81 h ILE 33 Ca 0.12 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.21 1q81 h ILE 33 Cb 0.20 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.14 1q81 h ILE 33 CO -0.01 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.28 1q81 h ARG 34 N -0.64 0.20 0.00 2.37 2.43 -1.41 0.40 114.38 117.73 1q81 h ARG 34 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1q81 h ARG 34 Cb 0.59 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1q81 h ARG 34 CO -0.11 0.13 -0.15 0.93 -1.51 0.00 0.00 179.97 179.26 1q81 h GLU 35 N 0.20 0.00 0.01 0.20 5.08 -0.72 -1.37 114.58 117.98 1q81 h GLU 35 Ca 0.55 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 1q81 h GLU 35 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1q81 h GLU 35 CO -0.66 0.15 -0.11 1.25 -1.00 0.00 0.00 179.01 178.64 1q81 h HIS 36 N 0.00 0.09 -0.66 4.33 2.76 0.12 -2.95 115.15 118.83 1q81 h HIS 36 Ca -0.00 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1q81 h HIS 36 Cb 0.58 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1q81 h HIS 36 CO 0.00 0.94 0.27 -0.07 -1.30 0.00 0.00 177.93 177.77 1q81 h LEU 37 N -0.79 0.91 -1.75 0.26 3.38 -1.23 0.11 115.31 116.20 1q81 h LEU 37 Ca -0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1q81 h LEU 37 Cb 0.98 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1q81 h LEU 37 CO 0.02 0.83 -0.16 0.00 0.09 0.00 0.00 178.44 179.22 1q81 h ALA 38 N 1.12 1.57 0.15 1.53 0.00 -1.36 -0.31 119.26 121.96 1q81 h ALA 38 Ca 0.22 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1q81 h ALA 38 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1q81 h ALA 38 CO -0.02 0.20 -1.65 -0.22 0.00 0.00 0.00 179.25 177.56 1q81 h LYS 39 N 0.00 0.32 -0.00 0.00 3.64 -1.18 -0.75 116.57 118.60 1q81 h LYS 39 Ca -0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1q81 h LYS 39 Cb 0.31 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1q81 h LYS 39 CO 0.02 1.26 -0.11 0.72 -2.27 0.00 0.00 179.45 179.07 1q81 n HIS 40 N -3.72 0.00 -1.22 1.91 8.25 0.32 -3.21 115.22 117.55 1q81 n HIS 40 Ca -0.26 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1q81 n HIS 40 Cb 1.00 -0.33 0.12 0.00 1.12 0.00 0.00 29.99 31.90 1q81 n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1q81 n PHE 41 N -1.30 0.00 -3.47 4.41 3.01 -0.14 -5.02 117.46 114.95 1q81 n PHE 41 Ca 0.10 -0.86 -0.19 0.00 1.01 0.00 0.00 57.45 57.51 1q81 n PHE 41 Cb 0.30 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1q81 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1q81 n SER 42 N -1.22 -3.03 -4.01 4.37 7.64 -1.19 -4.96 113.62 111.22 1q81 n SER 42 Ca 0.14 -0.69 -0.08 0.00 1.01 0.00 0.00 58.87 59.25 1q81 n SER 42 Cb 0.65 -1.03 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 1q81 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1q81 s VAL 43 N -2.90 0.17 0.46 0.44 1.01 -0.29 -5.01 120.40 114.28 1q81 s VAL 43 Ca 0.06 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 1q81 s VAL 43 Cb -0.03 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.74 1q81 s VAL 43 CO 0.60 -0.79 1.07 -1.81 0.00 0.00 0.00 175.10 174.16 1q81 s ASP 44 N -2.92 6.40 0.57 3.32 1.11 -1.26 -4.49 116.67 119.40 1q81 s ASP 44 Ca 0.09 2.05 0.32 0.00 0.18 0.00 0.00 52.55 55.18 1q81 s ASP 44 Cb 0.07 -2.58 1.71 0.00 1.07 0.00 0.00 42.92 43.19 1q81 s ASP 44 CO -0.09 -0.75 2.17 -0.33 1.18 0.00 0.00 175.17 177.35 1q81 h GLU 45 N 1.92 0.00 -0.66 8.23 5.08 -1.89 -1.34 114.58 125.92 1q81 h GLU 45 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1q81 h GLU 45 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1q81 h GLU 45 CO 0.60 0.06 0.28 -0.44 -1.00 0.00 0.00 179.01 178.51 1q81 h ASP 46 N 0.00 0.89 0.91 1.42 3.32 -1.97 -2.64 116.42 118.36 1q81 h ASP 46 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1q81 h ASP 46 Cb 0.21 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1q81 h ASP 46 CO 0.01 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 1q81 h ALA 47 N 1.12 1.00 -2.18 3.45 0.00 -1.56 -3.44 119.26 117.65 1q81 h ALA 47 Ca 0.22 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.56 1q81 h ALA 47 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1q81 h ALA 47 CO -0.02 0.00 0.87 0.08 0.00 0.00 0.00 179.25 180.18 1q81 s VAL 48 N -3.36 4.27 -0.18 0.00 1.01 -1.00 -3.16 120.40 117.98 1q81 s VAL 48 Ca 0.04 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1q81 s VAL 48 Cb 0.09 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1q81 s VAL 48 CO 0.46 -0.11 -0.06 -0.60 0.00 0.00 0.00 175.10 174.78 1q81 s ARG 49 N 3.28 3.48 -0.29 2.72 3.52 0.02 -4.99 118.95 126.70 1q81 s ARG 49 Ca 0.55 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 55.45 1q81 s ARG 49 Cb -0.22 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1q81 s ARG 49 CO 0.16 0.03 0.16 -0.51 -0.81 0.00 0.00 175.30 174.32 1q81 s LEU 50 N 0.90 3.95 0.35 -0.88 1.43 -1.26 -1.16 118.68 122.01 1q81 s LEU 50 Ca -0.01 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1q81 s LEU 50 Cb -0.15 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 1q81 s LEU 50 CO 0.01 -0.10 1.27 -0.62 0.23 0.00 0.00 176.35 177.14 1q81 s ASP 51 N 1.69 6.69 0.52 2.29 -1.08 0.04 -4.86 116.67 121.96 1q81 s ASP 51 Ca 0.06 2.60 0.38 0.00 -0.52 0.00 0.00 52.55 55.08 1q81 s ASP 51 Cb -0.16 -2.64 1.55 0.00 -1.46 0.00 0.00 42.92 40.20 1q81 s ASP 51 CO 0.08 -0.58 1.72 -0.65 0.52 0.00 0.00 175.17 176.26 1q81 h PRO 52 N 3.18 0.05 -0.53 4.34 0.11 -1.97 -0.70 132.00 136.48 1q81 h PRO 52 Ca -0.49 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1q81 h PRO 52 Cb 1.23 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1q81 h PRO 52 CO 0.65 0.03 -0.26 0.66 -0.21 0.00 0.00 178.00 178.87 1q81 h SER 53 N 0.05 -0.89 -0.97 -2.05 4.64 -1.93 0.39 113.55 112.79 1q81 h SER 53 Ca 0.70 0.20 0.09 0.00 -0.47 0.00 0.00 61.79 62.31 1q81 h SER 53 Cb 2.64 0.47 -0.07 0.00 -0.31 0.00 0.00 62.40 65.13 1q81 h SER 53 CO -0.08 -0.27 0.61 0.40 -0.87 0.00 0.00 176.83 176.62 1q81 h ILE 54 N -0.13 1.00 0.95 0.95 2.04 -1.46 0.37 117.51 121.22 1q81 h ILE 54 Ca 0.24 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1q81 h ILE 54 Cb 0.51 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1q81 h ILE 54 CO -0.61 0.19 -0.46 -1.13 0.00 0.00 0.00 178.15 176.14 1q81 h ASN 55 N 1.05 -1.09 -0.82 1.72 -1.24 -0.43 -1.44 115.58 113.32 1q81 h ASN 55 Ca 0.45 0.04 0.18 0.00 0.71 0.00 0.00 56.30 57.67 1q81 h ASN 55 Cb 0.31 0.28 -0.06 0.00 0.73 0.00 0.00 38.32 39.59 1q81 h ASN 55 CO -0.22 -0.77 0.55 -0.33 -1.29 0.00 0.00 177.43 175.37 1q81 h GLU 56 N -1.28 0.38 -0.30 6.67 5.08 -0.39 0.49 114.58 125.23 1q81 h GLU 56 Ca -0.13 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1q81 h GLU 56 Cb 0.98 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1q81 h GLU 56 CO 0.21 0.25 0.12 0.00 -1.00 0.00 0.00 179.01 178.59 1q81 h ALA 57 N 1.63 0.39 -0.23 3.43 0.00 -0.63 0.69 119.26 124.54 1q81 h ALA 57 Ca 0.42 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1q81 h ALA 57 Cb 1.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1q81 h ALA 57 CO -0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 179.25 178.78 1q81 h ALA 58 N 0.96 1.02 -0.12 0.00 0.00 0.14 -2.92 119.26 118.34 1q81 h ALA 58 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1q81 h ALA 58 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1q81 h ALA 58 CO -0.01 0.59 0.00 0.91 0.00 0.00 0.00 179.25 180.74 1q81 n TRP 59 N -4.08 0.13 -0.26 0.00 7.02 -0.41 -4.61 117.44 115.24 1q81 n TRP 59 Ca -0.01 -0.07 -0.04 0.00 -1.02 0.00 0.00 57.50 56.37 1q81 n TRP 59 Cb 0.45 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.33 1q81 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1q81 n ALA 60 N 0.79 -0.23 -1.32 6.99 0.00 0.23 -1.13 120.51 125.85 1q81 n ALA 60 Ca 0.17 0.61 -0.26 0.00 0.00 0.00 0.00 53.44 53.96 1q81 n ALA 60 Cb 0.47 -0.20 0.14 0.00 0.00 0.00 0.00 19.45 19.86 1q81 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q81 n ARG 61 N -4.90 2.42 0.00 0.00 1.74 -1.26 -5.05 116.66 109.61 1q81 n ARG 61 Ca 0.04 -3.17 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 1q81 n ARG 61 Cb 0.22 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1q81 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 62 N -1.05 -3.29 0.07 -0.13 0.00 -0.28 -4.21 105.19 96.30 1q81 n GLY 62 Ca 0.58 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1q81 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q81 h ARG 63 N 0.96 0.00 -0.01 1.61 2.43 -1.89 -3.36 114.38 114.12 1q81 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q81 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1q81 h ARG 63 CO 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 179.97 178.37 1q81 n ALA 64 N -1.85 2.62 -3.32 2.80 0.00 -1.26 -0.49 120.51 119.02 1q81 n ALA 64 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 1q81 n ALA 64 Cb 0.45 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 1q81 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1q81 n ASN 65 N 0.12 4.24 -4.82 0.00 3.02 -1.26 -4.80 115.26 111.75 1q81 n ASN 65 Ca 0.04 -3.47 -0.37 0.00 -0.03 0.00 0.00 54.58 50.75 1q81 n ASN 65 Cb 0.21 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 1q81 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q81 s THR 66 N -2.72 4.79 0.36 3.41 2.01 -1.26 -4.34 115.64 117.90 1q81 s THR 66 Ca 0.40 1.07 -0.28 0.00 0.31 0.00 0.00 61.69 63.19 1q81 s THR 66 Cb 0.15 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 1q81 s THR 66 CO -0.01 0.46 1.32 -2.16 -0.69 0.00 0.00 174.62 173.54 1q81 s PRO 67 N -1.38 4.21 0.27 4.92 0.04 -1.26 -4.93 135.00 136.86 1q81 s PRO 67 Ca 0.31 2.23 0.21 0.00 0.04 0.00 0.00 61.00 63.79 1q81 s PRO 67 Cb -0.18 -2.96 1.01 0.00 0.04 0.00 0.00 34.50 32.41 1q81 s PRO 67 CO 0.19 -0.31 1.63 -1.13 0.04 0.00 0.00 177.00 177.42 1q81 n SER 68 N 0.55 0.55 -3.91 6.66 3.41 -1.26 -4.67 113.62 114.96 1q81 n SER 68 Ca 0.01 0.70 -0.11 0.00 -0.26 0.00 0.00 58.87 59.22 1q81 n SER 68 Cb 0.42 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 1q81 n SER 68 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q81 s LYS 69 N -3.41 1.54 -0.30 4.33 1.02 -1.26 -0.98 119.74 120.68 1q81 s LYS 69 Ca 0.00 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 1q81 s LYS 69 Cb 0.07 0.42 0.16 0.00 -0.52 0.00 0.00 37.83 37.97 1q81 s LYS 69 CO 0.26 -0.62 0.88 -1.50 -0.92 0.00 0.00 175.35 173.45 1q81 s ILE 70 N -3.87 -0.65 -0.06 2.17 2.07 -0.88 -4.92 121.20 115.06 1q81 s ILE 70 Ca 0.27 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.22 1q81 s ILE 70 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1q81 s ILE 70 CO 0.12 0.00 1.06 -0.13 -1.91 0.00 0.00 174.94 174.07 1q81 s ARG 71 N 2.65 4.43 0.01 3.50 0.52 -1.26 -1.53 118.95 127.27 1q81 s ARG 71 Ca -0.01 1.49 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 1q81 s ARG 71 Cb -0.09 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 1q81 s ARG 71 CO -0.18 -0.29 -0.13 0.54 0.02 0.00 0.00 175.30 175.27 1q81 s VAL 72 N 1.80 1.00 -0.23 3.52 0.11 0.88 -3.98 120.40 123.51 1q81 s VAL 72 Ca 0.51 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 58.78 1q81 s VAL 72 Cb -0.21 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1q81 s VAL 72 CO 0.21 0.15 0.04 -0.60 -3.33 0.00 0.00 175.10 171.57 1q81 s ARG 73 N -0.65 3.61 0.06 1.54 3.52 -0.45 -0.12 118.95 126.46 1q81 s ARG 73 Ca 0.03 -0.50 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 1q81 s ARG 73 Cb -0.06 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1q81 s ARG 73 CO 0.00 -0.14 -0.19 0.00 -0.81 0.00 0.00 175.30 174.16 1q81 s ALA 74 N 1.46 1.58 0.10 6.12 0.00 -0.47 -2.33 121.76 128.22 1q81 s ALA 74 Ca 0.05 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.08 1q81 s ALA 74 Cb -0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1q81 s ALA 74 CO 0.02 0.33 -0.26 0.00 0.00 0.00 0.00 175.76 175.85 1q81 s ALA 75 N -0.92 2.27 -0.04 0.00 0.00 -0.35 -1.24 121.76 121.48 1q81 s ALA 75 Ca 0.05 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.68 1q81 s ALA 75 Cb -0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1q81 s ALA 75 CO 0.02 0.52 -0.17 0.50 0.00 0.00 0.00 175.76 176.63 1q81 s ARG 76 N -1.77 1.67 0.00 0.00 3.52 -1.26 -1.07 118.95 120.04 1q81 s ARG 76 Ca 0.12 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1q81 s ARG 76 Cb -0.10 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.81 1q81 s ARG 76 CO 0.05 0.25 0.00 1.97 -0.81 0.00 0.00 175.30 176.76 1q81 n PHE 77 N 3.08 0.00 -3.10 5.12 1.16 -0.82 -4.77 117.46 118.13 1q81 n PHE 77 Ca -0.18 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.41 1q81 n PHE 77 Cb 0.53 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1q81 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1q81 n GLU 78 N 0.00 -0.14 0.05 3.97 2.13 -1.26 -1.64 120.64 123.75 1q81 n GLU 78 Ca 0.00 0.09 0.13 0.00 0.66 0.00 0.00 57.16 58.04 1q81 n GLU 78 Cb 0.00 -0.17 0.44 0.00 0.27 0.00 0.00 31.44 31.98 1q81 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1q81 n GLU 79 N -0.67 0.14 -0.00 5.31 -0.00 -1.26 -3.72 120.64 120.44 1q81 n GLU 79 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 1q81 n GLU 79 Cb 0.03 -1.64 -0.00 0.00 -0.00 0.00 0.00 31.44 29.83 1q81 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1q81 n GLU 80 N -1.87 6.98 0.00 3.44 2.13 -1.26 -5.10 120.64 124.95 1q81 n GLU 80 Ca 0.06 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1q81 n GLU 80 Cb 0.39 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 31.59 1q81 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q81 n GLY 81 N 1.00 -1.46 3.88 8.31 0.00 -1.23 -5.00 105.19 110.68 1q81 n GLY 81 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1q81 n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q81 n GLU 82 N 0.26 0.49 -3.73 1.61 0.28 -0.65 -4.82 120.64 114.07 1q81 n GLU 82 Ca 0.00 -1.23 -0.12 0.00 -0.16 0.00 0.00 57.16 55.65 1q81 n GLU 82 Cb 0.00 1.75 -0.12 0.00 1.43 0.00 0.00 31.44 34.50 1q81 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q81 s ALA 83 N -2.02 -0.66 -0.09 -1.84 0.00 -1.19 -1.94 121.76 114.02 1q81 s ALA 83 Ca 0.25 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1q81 s ALA 83 Cb -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1q81 s ALA 83 CO 0.03 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 175.91 1q81 s ILE 84 N 1.05 3.35 0.22 0.00 1.01 -0.23 -0.80 121.20 125.80 1q81 s ILE 84 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1q81 s ILE 84 Cb -0.08 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1q81 s ILE 84 CO -0.07 0.56 0.04 -0.69 0.00 0.00 0.00 174.94 174.78 1q81 s VAL 85 N -0.34 0.69 0.08 2.92 1.01 -0.31 -1.21 120.40 123.23 1q81 s VAL 85 Ca 0.04 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 59.75 1q81 s VAL 85 Cb -0.13 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.94 1q81 s VAL 85 CO 0.02 -0.23 0.97 -1.83 0.00 0.00 0.00 175.10 174.03 1q81 s GLU 86 N -3.96 0.98 0.00 2.72 -1.05 -0.99 -0.78 118.70 115.63 1q81 s GLU 86 Ca 0.31 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1q81 s GLU 86 Cb 0.07 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1q81 s GLU 86 CO 0.09 -0.44 0.00 0.00 0.95 0.00 0.00 175.26 175.86 1q81 n ALA 87 N -0.39 0.00 -1.77 -0.84 0.00 -1.26 -1.34 120.51 114.91 1q81 n ALA 87 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1q81 n ALA 87 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1q81 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89