#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s ARG 8 N 0.00 0.21 -0.19 5.31 1.70 -0.71 -4.99 118.95 120.28 1k73 s ARG 8 Ca 0.00 -0.11 -0.07 0.00 -0.47 0.00 0.00 55.73 55.08 1k73 s ARG 8 Cb 0.00 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1k73 s ARG 8 CO 0.00 -0.10 0.04 0.08 -1.08 0.00 0.00 175.30 174.25 1k73 s VAL 9 N -2.24 4.50 0.04 4.99 1.01 -1.26 -1.80 120.40 125.63 1k73 s VAL 9 Ca 0.13 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1k73 s VAL 9 Cb 0.04 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1k73 s VAL 9 CO -0.05 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1k73 s VAL 10 N 0.68 1.15 -0.38 2.92 1.01 0.76 -4.97 120.40 121.57 1k73 s VAL 10 Ca 0.02 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1k73 s VAL 10 Cb -0.13 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1k73 s VAL 10 CO 0.02 0.03 0.27 -0.89 0.00 0.00 0.00 175.10 174.53 1k73 s THR 11 N -0.83 5.24 -0.25 3.92 2.01 -1.26 0.28 115.64 124.75 1k73 s THR 11 Ca 0.02 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1k73 s THR 11 Cb -0.08 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1k73 s THR 11 CO 0.01 -0.19 0.48 -0.63 -0.69 0.00 0.00 174.62 173.60 1k73 s ILE 12 N 1.69 5.10 0.11 1.82 -1.09 -0.58 -4.94 121.20 123.32 1k73 s ILE 12 Ca 0.05 0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 59.01 1k73 s ILE 12 Cb -0.18 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 1k73 s ILE 12 CO 0.10 0.12 0.87 -2.16 -1.23 0.00 0.00 174.94 172.63 1k73 s PRO 13 N 2.15 4.63 -0.22 2.79 0.04 -1.26 -2.02 135.00 141.11 1k73 s PRO 13 Ca 0.20 1.28 0.12 0.00 0.04 0.00 0.00 61.00 62.64 1k73 s PRO 13 Cb -0.16 -3.34 0.43 0.00 0.04 0.00 0.00 34.50 31.47 1k73 s PRO 13 CO 0.09 0.33 1.29 1.28 0.04 0.00 0.00 177.00 180.03 1k73 n LEU 14 N 2.45 3.10 0.16 -3.56 4.77 0.18 -4.72 117.00 119.36 1k73 n LEU 14 Ca -0.01 -3.71 0.03 0.00 -0.03 0.00 0.00 56.01 52.28 1k73 n LEU 14 Cb 0.49 -0.54 0.39 0.00 -2.33 0.00 0.00 43.42 41.43 1k73 n LEU 14 CO 0.49 1.23 0.82 0.08 -1.33 0.00 0.00 177.39 178.68 1k73 h ARG 15 N 0.89 0.12 0.00 3.23 0.11 -1.92 -2.63 114.38 114.18 1k73 h ARG 15 Ca 0.06 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1k73 h ARG 15 Cb 1.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1k73 h ARG 15 CO 0.12 0.35 0.00 -0.25 0.10 0.00 0.00 179.97 180.29 1k73 n ASP 16 N -4.21 0.00 0.04 0.08 8.00 -1.26 -2.43 116.55 116.77 1k73 n ASP 16 Ca -0.02 0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.91 1k73 n ASP 16 Cb 0.32 -0.41 0.49 0.00 -0.02 0.00 0.00 41.12 41.51 1k73 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 n ALA 17 N -1.41 2.10 0.70 2.24 0.00 -0.99 -2.77 120.51 120.38 1k73 n ALA 17 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1k73 n ALA 17 Cb 0.16 -1.41 0.48 0.00 0.00 0.00 0.00 19.45 18.68 1k73 n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k73 n ARG 18 N -1.78 0.14 0.21 0.00 1.74 -1.02 -2.78 116.66 113.17 1k73 n ARG 18 Ca 0.05 0.18 0.10 0.00 -0.77 0.00 0.00 57.85 57.41 1k73 n ARG 18 Cb 0.32 -1.69 0.31 0.00 -1.02 0.00 0.00 32.46 30.38 1k73 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k73 h ALA 19 N 2.63 0.93 -2.35 7.54 0.00 -1.74 -3.45 119.26 122.83 1k73 h ALA 19 Ca 0.00 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.23 1k73 h ALA 19 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1k73 h ALA 19 CO 0.00 0.25 0.06 -2.00 0.00 0.00 0.00 179.25 177.55 1k73 s GLU 20 N -3.37 3.90 0.28 0.00 2.56 -1.12 -5.02 118.70 115.94 1k73 s GLU 20 Ca 0.03 0.52 -0.30 0.00 0.00 0.00 0.00 54.97 55.23 1k73 s GLU 20 Cb 0.08 -2.47 -0.13 0.00 2.00 0.00 0.00 34.13 33.62 1k73 s GLU 20 CO 0.66 0.14 1.40 -0.35 -0.56 0.00 0.00 175.26 176.55 1k73 n PRO 21 N -0.59 2.18 -0.31 4.30 -0.04 -1.26 -4.86 135.00 134.42 1k73 n PRO 21 Ca 0.03 0.77 0.13 0.00 -0.04 0.00 0.00 63.50 64.39 1k73 n PRO 21 Cb 0.53 -2.43 0.31 0.00 -0.04 0.00 0.00 33.50 31.87 1k73 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1k73 h ASN 22 N 3.78 0.41 0.00 3.54 2.35 -1.90 -0.40 115.58 123.36 1k73 h ASN 22 Ca -0.46 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1k73 h ASN 22 Cb 1.27 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1k73 h ASN 22 CO 0.72 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 176.54 1k73 n HIS 23 N -5.00 0.00 -2.01 1.19 1.44 -1.26 -2.81 115.22 106.77 1k73 n HIS 23 Ca 0.22 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.98 1k73 n HIS 23 Cb 0.65 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.83 1k73 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1k73 n LYS 24 N -0.77 0.50 0.26 -1.40 5.02 -0.16 -4.51 118.16 117.10 1k73 n LYS 24 Ca 0.06 -2.11 -0.16 0.00 -2.02 0.00 0.00 58.31 54.08 1k73 n LYS 24 Cb 0.03 -0.65 -0.08 0.00 -0.02 0.00 0.00 35.03 34.31 1k73 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k73 h ARG 25 N 0.64 -0.70 -0.97 1.97 3.08 -1.22 -3.08 114.38 114.10 1k73 h ARG 25 Ca -0.10 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.13 1k73 h ARG 25 Cb 1.48 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 31.54 1k73 h ARG 25 CO 0.04 -0.47 -0.43 0.00 -1.07 0.00 0.00 179.97 178.05 1k73 n ALA 26 N -2.53 -0.25 -0.04 0.04 0.00 -0.44 0.31 120.51 117.60 1k73 n ALA 26 Ca -0.11 0.93 -0.08 0.00 0.00 0.00 0.00 53.44 54.18 1k73 n ALA 26 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 1k73 n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1k73 h ASP 27 N 0.00 -0.42 -0.88 0.00 3.45 -1.82 -0.90 116.42 115.84 1k73 h ASP 27 Ca 0.29 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 1k73 h ASP 27 Cb 0.53 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.48 1k73 h ASP 27 CO -0.95 -0.16 0.51 0.50 -1.57 0.00 0.00 179.24 177.56 1k73 h LYS 28 N -0.12 1.22 -0.18 3.56 1.63 -0.30 -2.01 116.57 120.38 1k73 h LYS 28 Ca 0.12 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1k73 h LYS 28 Cb 0.29 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1k73 h LYS 28 CO -0.28 0.87 0.05 0.00 -3.45 0.00 0.00 179.45 176.64 1k73 h ALA 29 N 1.28 0.19 -0.16 5.00 0.00 0.32 -0.30 119.26 125.57 1k73 h ALA 29 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1k73 h ALA 29 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k73 h ALA 29 CO -0.05 -0.38 0.16 1.98 0.00 0.00 0.00 179.25 180.95 1k73 h MET 30 N 0.13 0.00 0.17 0.00 1.85 -0.46 0.80 114.93 117.41 1k73 h MET 30 Ca 0.08 0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.91 1k73 h MET 30 Cb 0.06 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.12 1k73 h MET 30 CO -0.09 0.00 -1.13 0.82 -0.40 0.00 0.00 176.91 176.11 1k73 h ILE 31 N 0.00 1.37 -0.85 1.77 2.04 -0.69 -3.14 117.51 118.02 1k73 h ILE 31 Ca 0.08 -2.54 0.05 0.00 1.00 0.00 0.00 64.86 63.45 1k73 h ILE 31 Cb 0.39 2.99 -0.06 0.00 -0.74 0.00 0.00 36.82 39.40 1k73 h ILE 31 CO -0.00 0.75 0.53 -0.07 0.00 0.00 0.00 178.15 179.36 1k73 h LEU 32 N -0.03 0.86 -0.98 1.44 3.38 0.71 -0.72 115.31 119.98 1k73 h LEU 32 Ca -0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1k73 h LEU 32 Cb 1.86 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 1k73 h LEU 32 CO 0.21 0.57 0.58 0.40 0.09 0.00 0.00 178.44 180.30 1k73 h ILE 33 N 1.01 1.26 -0.18 1.22 2.04 -1.22 -0.26 117.51 121.38 1k73 h ILE 33 Ca 0.35 -0.54 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 1k73 h ILE 33 Cb 0.09 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1k73 h ILE 33 CO -0.14 0.27 -0.62 -0.09 0.00 0.00 0.00 178.15 177.56 1k73 h ARG 34 N 1.31 0.63 -0.15 2.37 2.43 -1.29 -2.72 114.38 116.96 1k73 h ARG 34 Ca 0.34 -0.44 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1k73 h ARG 34 Cb -0.08 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1k73 h ARG 34 CO -0.07 1.06 -0.48 0.93 -1.51 0.00 0.00 179.97 179.90 1k73 h GLU 35 N 0.47 0.38 0.21 0.20 5.08 -0.65 -1.97 114.58 118.29 1k73 h GLU 35 Ca -0.01 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1k73 h GLU 35 Cb 1.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1k73 h GLU 35 CO 0.12 0.78 -0.10 1.25 -1.00 0.00 0.00 179.01 180.07 1k73 h HIS 36 N 0.31 -0.26 -0.87 4.33 2.76 -1.01 -1.65 115.15 118.77 1k73 h HIS 36 Ca 0.02 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1k73 h HIS 36 Cb 0.96 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 1k73 h HIS 36 CO 0.03 0.04 0.51 -0.07 -1.30 0.00 0.00 177.93 177.14 1k73 h LEU 37 N -0.55 1.06 -0.82 0.26 3.38 -1.50 -0.01 115.31 117.13 1k73 h LEU 37 Ca -0.03 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1k73 h LEU 37 Cb 0.41 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1k73 h LEU 37 CO 0.05 0.82 0.52 0.00 0.09 0.00 0.00 178.44 179.92 1k73 h ALA 38 N 1.28 1.08 0.09 1.53 0.00 -1.24 -0.97 119.26 121.02 1k73 h ALA 38 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1k73 h ALA 38 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1k73 h ALA 38 CO -0.06 0.33 -0.04 -0.22 0.00 0.00 0.00 179.25 179.26 1k73 h LYS 39 N 1.00 -0.12 0.00 0.00 3.64 -0.63 0.01 116.57 120.47 1k73 h LYS 39 Ca 0.33 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1k73 h LYS 39 Cb 0.03 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1k73 h LYS 39 CO -0.12 0.42 0.00 0.45 -2.27 0.00 0.00 179.45 177.92 1k73 h HIS 40 N -0.83 0.00 -0.16 1.91 3.86 -0.99 -2.41 115.15 116.53 1k73 h HIS 40 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1k73 h HIS 40 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1k73 h HIS 40 CO 0.12 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.10 1k73 n PHE 41 N -2.45 0.51 -3.59 2.45 3.01 -0.37 -5.02 117.46 111.99 1k73 n PHE 41 Ca 0.01 -0.85 -0.24 0.00 1.01 0.00 0.00 57.45 57.39 1k73 n PHE 41 Cb 0.21 -0.21 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1k73 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1k73 n SER 42 N -0.70 -4.29 -3.85 4.37 7.64 -0.91 -4.97 113.62 110.91 1k73 n SER 42 Ca 0.17 -0.77 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 1k73 n SER 42 Cb 0.71 -1.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 1k73 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k73 s VAL 43 N -2.64 0.08 0.30 0.44 1.01 -0.03 -4.99 120.40 114.57 1k73 s VAL 43 Ca 0.05 -1.11 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1k73 s VAL 43 Cb -0.01 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1k73 s VAL 43 CO 0.79 -0.35 0.98 -1.81 0.00 0.00 0.00 175.10 174.70 1k73 s ASP 44 N -2.90 7.36 0.65 3.32 1.11 -1.26 -4.47 116.67 120.48 1k73 s ASP 44 Ca 0.11 1.96 0.37 0.00 0.18 0.00 0.00 52.55 55.17 1k73 s ASP 44 Cb 0.03 -2.60 2.05 0.00 1.07 0.00 0.00 42.92 43.47 1k73 s ASP 44 CO -0.05 -0.06 2.19 -0.33 1.18 0.00 0.00 175.17 178.11 1k73 h GLU 45 N 3.49 0.00 0.00 8.23 5.08 -1.91 0.37 114.58 129.84 1k73 h GLU 45 Ca -0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1k73 h GLU 45 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1k73 h GLU 45 CO 0.66 0.00 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.74 1k73 h ASP 46 N 0.00 0.00 0.34 1.42 3.32 -1.96 -3.11 116.42 116.42 1k73 h ASP 46 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1k73 h ASP 46 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1k73 h ASP 46 CO -0.00 0.49 -0.24 0.00 -1.72 0.00 0.00 179.24 177.77 1k73 n ALA 47 N -2.41 3.02 -2.64 3.45 0.00 0.13 -4.85 120.51 117.21 1k73 n ALA 47 Ca -0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1k73 n ALA 47 Cb 0.52 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1k73 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k73 s VAL 48 N -2.58 4.85 -0.21 0.00 1.01 -1.18 -2.73 120.40 119.56 1k73 s VAL 48 Ca 0.23 1.50 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 1k73 s VAL 48 Cb 0.19 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1k73 s VAL 48 CO 0.53 -0.07 0.03 -0.60 0.00 0.00 0.00 175.10 175.00 1k73 s ARG 49 N 2.80 3.69 -0.23 2.72 3.52 0.14 -4.98 118.95 126.62 1k73 s ARG 49 Ca 0.34 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1k73 s ARG 49 Cb -0.15 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1k73 s ARG 49 CO 0.08 0.01 0.08 -0.51 -0.81 0.00 0.00 175.30 174.15 1k73 s LEU 50 N 1.05 3.68 0.30 -0.88 1.43 -1.26 -1.07 118.68 121.93 1k73 s LEU 50 Ca 0.03 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1k73 s LEU 50 Cb -0.14 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 1k73 s LEU 50 CO 0.02 0.05 1.20 -0.62 0.23 0.00 0.00 176.35 177.24 1k73 s ASP 51 N 1.11 7.02 0.58 2.29 -1.08 0.11 -4.85 116.67 121.85 1k73 s ASP 51 Ca 0.05 2.48 0.36 0.00 -0.52 0.00 0.00 52.55 54.92 1k73 s ASP 51 Cb -0.14 -2.64 1.30 0.00 -1.46 0.00 0.00 42.92 39.98 1k73 s ASP 51 CO 0.04 -0.34 1.48 -0.65 0.52 0.00 0.00 175.17 176.22 1k73 h PRO 52 N 3.62 0.00 -0.41 4.34 0.11 -1.97 0.26 132.00 137.96 1k73 h PRO 52 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1k73 h PRO 52 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1k73 h PRO 52 CO 0.66 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 179.14 1k73 h SER 53 N 0.00 -0.11 -0.58 -2.05 4.64 -1.94 0.23 113.55 113.74 1k73 h SER 53 Ca 0.63 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 62.06 1k73 h SER 53 Cb 3.05 0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 65.25 1k73 h SER 53 CO -0.01 -0.02 0.37 0.40 -0.87 0.00 0.00 176.83 176.70 1k73 h ILE 54 N 0.14 1.11 0.13 0.95 2.04 -0.81 -0.39 117.51 120.68 1k73 h ILE 54 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1k73 h ILE 54 Cb 0.28 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1k73 h ILE 54 CO -0.31 0.14 -0.06 -1.13 0.00 0.00 0.00 178.15 176.78 1k73 h ASN 55 N 0.75 -0.14 0.07 1.72 -1.24 -1.31 -1.81 115.58 113.61 1k73 h ASN 55 Ca 0.22 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1k73 h ASN 55 Cb -0.03 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1k73 h ASN 55 CO -0.07 -0.07 -0.07 -0.33 -1.29 0.00 0.00 177.43 175.60 1k73 h GLU 56 N -0.21 0.00 -0.19 6.67 5.08 -0.26 -0.75 114.58 124.92 1k73 h GLU 56 Ca -0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1k73 h GLU 56 Cb 0.16 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1k73 h GLU 56 CO 0.03 0.07 -0.02 0.00 -1.00 0.00 0.00 179.01 178.09 1k73 h ALA 57 N 1.93 0.26 0.00 3.43 0.00 -0.51 -0.56 119.26 123.81 1k73 h ALA 57 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1k73 h ALA 57 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1k73 h ALA 57 CO 0.01 0.01 -0.40 0.00 0.00 0.00 0.00 179.25 178.87 1k73 h ALA 58 N 0.76 1.27 -0.41 0.00 0.00 -0.57 -2.81 119.26 117.49 1k73 h ALA 58 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1k73 h ALA 58 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1k73 h ALA 58 CO 0.01 0.49 0.00 0.91 0.00 0.00 0.00 179.25 180.67 1k73 n TRP 59 N -3.96 0.53 -0.29 0.00 7.02 -0.36 -4.62 117.44 115.77 1k73 n TRP 59 Ca -0.02 -0.27 0.10 0.00 -1.02 0.00 0.00 57.50 56.29 1k73 n TRP 59 Cb 0.44 0.00 0.23 0.00 -2.42 0.00 0.00 31.31 29.56 1k73 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1k73 h ALA 60 N 4.39 1.06 -0.74 6.99 0.00 -0.82 -1.70 119.26 128.43 1k73 h ALA 60 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 54.91 54.80 1k73 h ALA 60 Cb 0.89 0.38 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 1k73 h ALA 60 CO 0.00 -0.45 0.35 0.54 0.00 0.00 0.00 179.25 179.69 1k73 n ARG 61 N -5.30 2.40 0.00 0.00 1.74 -1.26 -5.07 116.66 109.17 1k73 n ARG 61 Ca 0.18 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1k73 n ARG 61 Cb 0.60 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1k73 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 62 N -0.95 0.37 0.24 -0.13 0.00 -0.64 -4.09 105.19 99.98 1k73 n GLY 62 Ca 0.47 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.67 1k73 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k73 h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.89 -3.27 114.38 113.26 1k73 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k73 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1k73 h ARG 63 CO 0.00 0.13 -1.56 0.00 -1.51 0.00 0.00 179.97 177.03 1k73 n ALA 64 N -2.16 3.57 -3.48 2.80 0.00 -1.26 -1.33 120.51 118.64 1k73 n ALA 64 Ca 0.01 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1k73 n ALA 64 Cb 0.40 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 1k73 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k73 n ASN 65 N -1.97 4.29 -4.82 0.00 3.02 -1.23 -4.77 115.26 109.78 1k73 n ASN 65 Ca -0.01 -3.31 -0.36 0.00 -0.03 0.00 0.00 54.58 50.86 1k73 n ASN 65 Cb 0.47 -0.91 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 1k73 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k73 s THR 66 N -2.07 4.70 0.61 3.41 2.01 -1.26 -4.30 115.64 118.74 1k73 s THR 66 Ca 0.33 1.12 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 1k73 s THR 66 Cb 0.04 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1k73 s THR 66 CO -0.05 0.31 1.15 -2.16 -0.69 0.00 0.00 174.62 173.18 1k73 s PRO 67 N -1.75 2.95 0.47 4.92 0.04 -1.26 -4.94 135.00 135.43 1k73 s PRO 67 Ca 0.38 1.59 0.30 0.00 0.04 0.00 0.00 61.00 63.31 1k73 s PRO 67 Cb -0.17 -1.95 1.17 0.00 0.04 0.00 0.00 34.50 33.59 1k73 s PRO 67 CO 0.20 -1.17 1.89 0.66 0.04 0.00 0.00 177.00 178.62 1k73 h SER 68 N 0.56 0.00 -5.65 6.66 4.64 -1.95 -3.44 113.55 114.37 1k73 h SER 68 Ca -0.49 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.53 1k73 h SER 68 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 1k73 h SER 68 CO 0.55 0.00 -0.45 -0.54 -0.87 0.00 0.00 176.83 175.52 1k73 s LYS 69 N -3.53 1.55 -0.30 4.77 1.02 -1.26 0.47 119.74 122.46 1k73 s LYS 69 Ca 0.03 -1.74 -0.14 0.00 0.02 0.00 0.00 55.97 54.13 1k73 s LYS 69 Cb 0.09 0.34 0.14 0.00 -0.52 0.00 0.00 37.83 37.88 1k73 s LYS 69 CO 0.53 -0.58 0.87 -1.50 -0.92 0.00 0.00 175.35 173.76 1k73 s ILE 70 N -3.71 -0.44 -0.07 2.17 2.07 -0.86 -4.91 121.20 115.45 1k73 s ILE 70 Ca 0.36 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.35 1k73 s ILE 70 Cb 0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1k73 s ILE 70 CO 0.18 0.00 0.80 -0.13 -1.91 0.00 0.00 174.94 173.88 1k73 s ARG 71 N 2.20 4.44 -0.03 3.50 0.52 -1.26 -1.52 118.95 126.80 1k73 s ARG 71 Ca -0.06 1.04 0.03 0.00 -0.52 0.00 0.00 55.73 56.23 1k73 s ARG 71 Cb -0.07 -3.48 -0.00 0.00 0.52 0.00 0.00 34.95 31.92 1k73 s ARG 71 CO -0.17 -0.05 -0.12 0.54 0.02 0.00 0.00 175.30 175.52 1k73 s VAL 72 N 1.15 0.99 -0.27 3.52 0.11 0.14 -3.81 120.40 122.23 1k73 s VAL 72 Ca 0.41 -0.48 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1k73 s VAL 72 Cb -0.18 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1k73 s VAL 72 CO 0.19 0.30 0.16 -0.60 -3.33 0.00 0.00 175.10 171.82 1k73 s ARG 73 N 0.08 3.89 0.08 1.54 3.52 -0.21 -0.17 118.95 127.68 1k73 s ARG 73 Ca -0.02 -0.35 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 1k73 s ARG 73 Cb -0.09 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1k73 s ARG 73 CO 0.01 -0.16 -0.17 0.00 -0.81 0.00 0.00 175.30 174.16 1k73 s ALA 74 N 1.67 1.48 0.08 6.12 0.00 -0.75 -0.92 121.76 129.44 1k73 s ALA 74 Ca 0.07 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1k73 s ALA 74 Cb -0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1k73 s ALA 74 CO 0.09 0.27 -0.19 0.00 0.00 0.00 0.00 175.76 175.93 1k73 s ALA 75 N -1.13 1.66 -0.02 0.00 0.00 -0.23 -1.74 121.76 120.30 1k73 s ALA 75 Ca 0.03 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1k73 s ALA 75 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1k73 s ALA 75 CO 0.03 0.34 -0.23 0.50 0.00 0.00 0.00 175.76 176.39 1k73 s ARG 76 N -1.60 1.99 0.00 0.00 3.52 -1.26 -1.34 118.95 120.26 1k73 s ARG 76 Ca 0.05 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1k73 s ARG 76 Cb -0.09 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 1k73 s ARG 76 CO 0.03 0.48 0.00 1.97 -0.81 0.00 0.00 175.30 176.97 1k73 n PHE 77 N 2.59 0.00 -1.54 5.12 1.16 -0.70 -4.73 117.46 119.37 1k73 n PHE 77 Ca -0.16 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.46 1k73 n PHE 77 Cb 0.52 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.38 1k73 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1k73 n GLU 78 N 0.00 -0.57 0.00 3.97 2.13 -1.26 -1.67 120.64 123.24 1k73 n GLU 78 Ca 0.00 0.38 0.14 0.00 0.66 0.00 0.00 57.16 58.34 1k73 n GLU 78 Cb 0.00 -0.70 0.59 0.00 0.27 0.00 0.00 31.44 31.60 1k73 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1k73 n GLU 79 N -1.51 0.34 0.00 5.31 -0.00 -1.26 -3.76 120.64 119.76 1k73 n GLU 79 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 1k73 n GLU 79 Cb 0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.07 1k73 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1k73 n GLU 80 N -1.26 5.70 -0.15 3.44 2.13 -1.26 -5.11 120.64 124.13 1k73 n GLU 80 Ca 0.11 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1k73 n GLU 80 Cb 0.30 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.58 1k73 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k73 n GLY 81 N 0.82 -1.92 3.80 8.31 0.00 -1.23 -4.98 105.19 109.98 1k73 n GLY 81 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 1k73 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k73 s GLU 82 N -3.72 1.33 -0.01 1.61 -1.05 -0.67 -4.80 118.70 111.38 1k73 s GLU 82 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1k73 s GLU 82 Cb 0.00 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1k73 s GLU 82 CO 0.00 -0.62 0.00 0.00 0.95 0.00 0.00 175.26 175.60 1k73 s ALA 83 N -2.97 0.11 -0.16 -0.84 0.00 -1.11 -1.72 121.76 115.08 1k73 s ALA 83 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1k73 s ALA 83 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1k73 s ALA 83 CO 0.04 -0.03 -0.16 0.42 0.00 0.00 0.00 175.76 176.03 1k73 s ILE 84 N 0.46 2.55 0.13 0.00 1.01 -0.45 -0.68 121.20 124.23 1k73 s ILE 84 Ca -0.04 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.87 1k73 s ILE 84 Cb -0.06 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1k73 s ILE 84 CO -0.01 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 1k73 s VAL 85 N 0.90 1.46 0.27 2.92 1.01 -0.23 -1.06 120.40 125.67 1k73 s VAL 85 Ca -0.04 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 1k73 s VAL 85 Cb -0.15 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1k73 s VAL 85 CO -0.02 -0.37 0.45 -1.83 0.00 0.00 0.00 175.10 173.34 1k73 s GLU 86 N -2.63 1.62 1.12 2.72 -1.05 -0.09 0.08 118.70 120.47 1k73 s GLU 86 Ca 0.10 -1.42 -0.19 0.00 -0.15 0.00 0.00 54.97 53.31 1k73 s GLU 86 Cb -0.05 0.45 0.28 0.00 -0.44 0.00 0.00 34.13 34.37 1k73 s GLU 86 CO 0.04 -0.67 0.84 0.00 0.95 0.00 0.00 175.26 176.42 1k73 n ALA 87 N -0.42 -3.54 -1.03 -0.84 0.00 -1.26 -1.04 120.51 112.38 1k73 n ALA 87 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1k73 n ALA 87 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1k73 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89