#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s ARG 8 N 0.00 0.22 -0.21 5.31 1.70 -0.63 -4.99 118.95 120.35 1s72 s ARG 8 Ca 0.00 -0.10 -0.08 0.00 -0.47 0.00 0.00 55.73 55.08 1s72 s ARG 8 Cb 0.00 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1s72 s ARG 8 CO 0.00 -0.10 0.08 0.08 -1.08 0.00 0.00 175.30 174.28 1s72 s VAL 9 N -2.26 4.78 0.07 4.99 1.01 -1.26 -1.81 120.40 125.92 1s72 s VAL 9 Ca 0.12 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1s72 s VAL 9 Cb 0.02 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1s72 s VAL 9 CO -0.04 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 1s72 s VAL 10 N 0.76 1.38 -0.35 2.92 1.01 0.30 -4.97 120.40 121.44 1s72 s VAL 10 Ca 0.04 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1s72 s VAL 10 Cb -0.13 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1s72 s VAL 10 CO 0.02 -0.06 0.19 -0.89 0.00 0.00 0.00 175.10 174.35 1s72 s THR 11 N -1.08 4.55 -0.23 3.92 2.01 -1.26 -0.05 115.64 123.50 1s72 s THR 11 Ca 0.03 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1s72 s THR 11 Cb -0.09 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1s72 s THR 11 CO 0.03 -0.14 0.45 -0.63 -0.69 0.00 0.00 174.62 173.63 1s72 s ILE 12 N 1.57 5.14 0.06 1.82 -1.09 -0.53 -4.94 121.20 123.22 1s72 s ILE 12 Ca 0.03 0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 58.95 1s72 s ILE 12 Cb -0.19 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1s72 s ILE 12 CO 0.06 0.17 0.89 -2.16 -1.23 0.00 0.00 174.94 172.67 1s72 s PRO 13 N 1.81 4.59 -0.22 2.79 0.04 -1.26 -2.21 135.00 140.54 1s72 s PRO 13 Ca 0.20 1.29 0.13 0.00 0.04 0.00 0.00 61.00 62.66 1s72 s PRO 13 Cb -0.15 -3.40 0.45 0.00 0.04 0.00 0.00 34.50 31.44 1s72 s PRO 13 CO 0.09 0.17 1.34 1.28 0.04 0.00 0.00 177.00 179.92 1s72 n LEU 14 N 3.09 3.44 0.24 -3.56 4.77 0.17 -4.68 117.00 120.48 1s72 n LEU 14 Ca 0.01 -3.47 0.08 0.00 -0.03 0.00 0.00 56.01 52.61 1s72 n LEU 14 Cb 0.50 -0.55 0.61 0.00 -2.33 0.00 0.00 43.42 41.65 1s72 n LEU 14 CO 0.50 1.03 0.96 0.08 -1.33 0.00 0.00 177.39 178.62 1s72 h ARG 15 N 0.98 0.00 0.00 3.23 0.11 -1.91 -2.41 114.38 114.38 1s72 h ARG 15 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1s72 h ARG 15 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 1s72 h ARG 15 CO 0.20 0.13 0.00 -0.25 0.10 0.00 0.00 179.97 180.15 1s72 n ASP 16 N -4.16 0.00 0.17 0.08 8.00 -1.26 -2.39 116.55 116.99 1s72 n ASP 16 Ca -0.02 0.35 0.13 0.00 0.71 0.00 0.00 54.79 55.96 1s72 n ASP 16 Cb 0.21 -0.44 0.46 0.00 -0.02 0.00 0.00 41.12 41.34 1s72 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 h ALA 17 N 2.74 1.00 0.00 2.24 0.00 -1.79 -2.83 119.26 120.62 1s72 h ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s72 h ALA 17 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s72 h ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1s72 h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.66 -2.56 114.38 113.24 1s72 h ARG 18 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1s72 h ARG 18 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1s72 h ARG 18 CO 0.00 0.00 -0.32 0.00 -1.07 0.00 0.00 179.97 178.58 1s72 h ALA 19 N 2.14 0.98 -2.27 0.04 0.00 -1.71 -3.44 119.26 115.00 1s72 h ALA 19 Ca 0.00 -0.29 -0.49 0.00 0.00 0.00 0.00 54.91 54.13 1s72 h ALA 19 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1s72 h ALA 19 CO 0.00 0.40 0.20 -2.00 0.00 0.00 0.00 179.25 177.85 1s72 s GLU 20 N -3.57 3.87 0.29 0.00 2.56 -0.96 -5.00 118.70 115.89 1s72 s GLU 20 Ca 0.01 0.66 -0.30 0.00 0.00 0.00 0.00 54.97 55.34 1s72 s GLU 20 Cb 0.10 -2.31 -0.12 0.00 2.00 0.00 0.00 34.13 33.80 1s72 s GLU 20 CO 0.67 -0.09 1.48 -0.35 -0.56 0.00 0.00 175.26 176.42 1s72 n PRO 21 N -1.27 2.41 -0.34 4.30 -0.04 -1.26 -4.85 135.00 133.96 1s72 n PRO 21 Ca 0.04 0.86 0.21 0.00 -0.04 0.00 0.00 63.50 64.57 1s72 n PRO 21 Cb 0.54 -2.57 0.46 0.00 -0.04 0.00 0.00 33.50 31.89 1s72 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1s72 h ASN 22 N 4.10 0.54 0.00 3.54 2.35 -1.90 -0.37 115.58 123.84 1s72 h ASN 22 Ca -0.47 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1s72 h ASN 22 Cb 1.25 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1s72 h ASN 22 CO 0.74 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 176.60 1s72 n HIS 23 N -4.75 0.00 -1.67 1.19 1.44 -1.26 -3.08 115.22 107.09 1s72 n HIS 23 Ca 0.27 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.03 1s72 n HIS 23 Cb 0.84 -0.00 0.09 0.00 0.12 0.00 0.00 29.99 31.04 1s72 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1s72 n LYS 24 N -1.00 0.76 0.20 -1.40 5.02 -0.15 -4.43 118.16 117.15 1s72 n LYS 24 Ca 0.15 -2.16 -0.15 0.00 -2.02 0.00 0.00 58.31 54.13 1s72 n LYS 24 Cb 0.07 -0.99 -0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1s72 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s72 h ARG 25 N 0.35 -0.59 -0.88 1.97 3.08 -1.37 -3.07 114.38 113.87 1s72 h ARG 25 Ca -0.04 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1s72 h ARG 25 Cb 1.26 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.31 1s72 h ARG 25 CO 0.02 -0.39 -0.36 0.00 -1.07 0.00 0.00 179.97 178.17 1s72 n ALA 26 N -2.55 -0.15 -0.03 0.04 0.00 -0.62 0.46 120.51 117.66 1s72 n ALA 26 Ca -0.09 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 1s72 n ALA 26 Cb 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 1s72 n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s72 h ASP 27 N 0.00 -0.18 -0.70 0.00 3.45 -1.82 -0.28 116.42 116.89 1s72 h ASP 27 Ca 0.29 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.75 1s72 h ASP 27 Cb 0.51 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.37 1s72 h ASP 27 CO -0.87 -0.06 0.21 0.50 -1.57 0.00 0.00 179.24 177.44 1s72 h LYS 28 N -0.01 1.11 0.03 3.56 1.63 -0.16 -2.46 116.57 120.26 1s72 h LYS 28 Ca 0.09 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1s72 h LYS 28 Cb 0.14 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1s72 h LYS 28 CO -0.19 0.95 -0.09 0.00 -3.45 0.00 0.00 179.45 176.67 1s72 h ALA 29 N 1.16 -0.12 -0.25 5.00 0.00 0.47 -0.20 119.26 125.32 1s72 h ALA 29 Ca 0.23 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1s72 h ALA 29 Cb 0.32 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1s72 h ALA 29 CO -0.01 -0.59 0.26 1.98 0.00 0.00 0.00 179.25 180.89 1s72 h MET 30 N -0.17 0.00 0.23 0.00 1.85 -0.71 -0.49 114.93 115.63 1s72 h MET 30 Ca 0.03 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.78 1s72 h MET 30 Cb 0.20 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.26 1s72 h MET 30 CO -0.08 0.00 -1.58 0.82 -0.40 0.00 0.00 176.91 175.68 1s72 h ILE 31 N 0.00 1.15 -0.64 1.77 2.04 -0.74 -3.17 117.51 117.91 1s72 h ILE 31 Ca 0.12 -2.62 0.04 0.00 1.00 0.00 0.00 64.86 63.40 1s72 h ILE 31 Cb 0.63 2.94 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 1s72 h ILE 31 CO -0.00 0.83 0.38 -0.07 0.00 0.00 0.00 178.15 179.29 1s72 h LEU 32 N 0.12 0.61 -1.02 1.44 3.38 0.47 -1.33 115.31 118.97 1s72 h LEU 32 Ca -0.29 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1s72 h LEU 32 Cb 2.14 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.71 1s72 h LEU 32 CO 0.24 0.42 0.65 0.40 0.09 0.00 0.00 178.44 180.23 1s72 h ILE 33 N 0.74 1.14 -0.27 1.22 2.04 -1.37 0.81 117.51 121.82 1s72 h ILE 33 Ca 0.27 -0.42 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 1s72 h ILE 33 Cb 0.07 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1s72 h ILE 33 CO -0.13 0.22 -0.52 -0.09 0.00 0.00 0.00 178.15 177.63 1s72 h ARG 34 N 1.22 0.78 -0.14 2.37 2.43 -1.36 -2.68 114.38 117.01 1s72 h ARG 34 Ca 0.41 -0.48 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1s72 h ARG 34 Cb 0.07 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1s72 h ARG 34 CO -0.14 1.11 -0.58 0.93 -1.51 0.00 0.00 179.97 179.78 1s72 h GLU 35 N 0.61 0.46 0.14 0.20 5.08 -0.72 -1.91 114.58 118.43 1s72 h GLU 35 Ca 0.02 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1s72 h GLU 35 Cb 1.11 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s72 h GLU 35 CO 0.11 0.91 -0.07 1.25 -1.00 0.00 0.00 179.01 180.21 1s72 h HIS 36 N 0.35 -0.17 -0.69 4.33 2.76 -0.84 -1.85 115.15 119.04 1s72 h HIS 36 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1s72 h HIS 36 Cb 1.11 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 1s72 h HIS 36 CO 0.04 0.10 0.31 -0.07 -1.30 0.00 0.00 177.93 177.01 1s72 h LEU 37 N -0.43 0.90 -0.68 0.26 3.38 -1.50 -0.89 115.31 116.35 1s72 h LEU 37 Ca -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1s72 h LEU 37 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1s72 h LEU 37 CO 0.03 0.77 0.42 0.00 0.09 0.00 0.00 178.44 179.75 1s72 h ALA 38 N 1.36 0.86 0.07 1.53 0.00 -1.20 -1.28 119.26 120.60 1s72 h ALA 38 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s72 h ALA 38 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s72 h ALA 38 CO -0.03 0.33 -0.03 -0.22 0.00 0.00 0.00 179.25 179.30 1s72 h LYS 39 N 0.92 -0.09 0.00 0.00 3.64 -0.96 0.17 116.57 120.25 1s72 h LYS 39 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1s72 h LYS 39 Cb -0.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1s72 h LYS 39 CO -0.05 0.48 0.00 0.72 -2.27 0.00 0.00 179.45 178.33 1s72 n HIS 40 N -4.83 0.82 -0.54 1.91 8.25 -0.37 -2.16 115.22 118.31 1s72 n HIS 40 Ca -0.08 0.33 0.06 0.00 -0.26 0.00 0.00 57.72 57.76 1s72 n HIS 40 Cb 0.30 -1.03 0.12 0.00 1.12 0.00 0.00 29.99 30.50 1s72 n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1s72 n PHE 41 N -2.25 0.27 -3.84 4.41 3.01 -0.49 -5.01 117.46 113.56 1s72 n PHE 41 Ca 0.02 -0.72 -0.29 0.00 1.01 0.00 0.00 57.45 57.47 1s72 n PHE 41 Cb 0.22 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.57 1s72 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1s72 n SER 42 N -0.58 -4.76 -3.95 4.37 7.64 -0.92 -4.98 113.62 110.44 1s72 n SER 42 Ca 0.11 -1.03 -0.09 0.00 1.01 0.00 0.00 58.87 58.87 1s72 n SER 42 Cb 0.52 -1.78 -0.08 0.00 -1.01 0.00 0.00 64.21 61.87 1s72 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1s72 s VAL 43 N -3.12 0.12 0.31 0.44 1.01 0.56 -4.99 120.40 114.73 1s72 s VAL 43 Ca 0.12 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 1s72 s VAL 43 Cb -0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1s72 s VAL 43 CO 0.91 -0.55 0.99 -1.81 0.00 0.00 0.00 175.10 174.64 1s72 s ASP 44 N -2.93 7.30 0.57 3.32 1.11 -1.26 -4.40 116.67 120.37 1s72 s ASP 44 Ca 0.12 1.97 0.27 0.00 0.18 0.00 0.00 52.55 55.09 1s72 s ASP 44 Cb 0.05 -2.60 1.52 0.00 1.07 0.00 0.00 42.92 42.96 1s72 s ASP 44 CO -0.06 -0.10 2.02 -0.33 1.18 0.00 0.00 175.17 177.89 1s72 h GLU 45 N 3.40 0.00 0.00 8.23 5.08 -1.90 0.41 114.58 129.80 1s72 h GLU 45 Ca -0.47 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1s72 h GLU 45 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1s72 h GLU 45 CO 0.66 0.00 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.96 1s72 h ASP 46 N 0.00 0.00 -0.04 1.42 3.32 -1.96 -3.01 116.42 116.15 1s72 h ASP 46 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1s72 h ASP 46 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1s72 h ASP 46 CO -0.00 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 1s72 n ALA 47 N -2.43 2.55 -2.63 3.45 0.00 0.14 -4.86 120.51 116.73 1s72 n ALA 47 Ca -0.02 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 1s72 n ALA 47 Cb 0.33 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 1s72 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s72 s VAL 48 N -1.97 5.07 -0.20 0.00 1.01 -1.14 -2.35 120.40 120.82 1s72 s VAL 48 Ca 0.36 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 1s72 s VAL 48 Cb 0.21 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1s72 s VAL 48 CO 0.32 0.11 0.03 -0.60 0.00 0.00 0.00 175.10 174.96 1s72 s ARG 49 N 2.11 3.74 -0.23 2.72 3.52 -0.16 -4.98 118.95 125.65 1s72 s ARG 49 Ca 0.23 -0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1s72 s ARG 49 Cb -0.16 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1s72 s ARG 49 CO 0.09 0.05 0.10 -0.51 -0.81 0.00 0.00 175.30 174.22 1s72 s LEU 50 N 0.93 3.71 0.20 -0.88 1.43 -1.26 -1.39 118.68 121.42 1s72 s LEU 50 Ca 0.03 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1s72 s LEU 50 Cb -0.14 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 1s72 s LEU 50 CO 0.02 0.03 1.28 -0.62 0.23 0.00 0.00 176.35 177.30 1s72 s ASP 51 N 1.23 6.93 0.51 2.29 -1.08 0.61 -4.85 116.67 122.31 1s72 s ASP 51 Ca 0.05 2.38 0.34 0.00 -0.52 0.00 0.00 52.55 54.80 1s72 s ASP 51 Cb -0.14 -2.61 1.17 0.00 -1.46 0.00 0.00 42.92 39.88 1s72 s ASP 51 CO 0.04 -0.49 1.26 -2.65 0.52 0.00 0.00 175.17 173.85 1s72 n PRO 52 N 2.51 0.01 -0.19 4.34 -0.02 -1.26 0.65 135.00 141.04 1s72 n PRO 52 Ca 0.05 0.93 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 1s72 n PRO 52 Cb 0.43 -2.22 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 1s72 n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s72 h SER 53 N 0.00 0.25 -0.67 2.55 4.64 -1.93 0.06 113.55 118.45 1s72 h SER 53 Ca 0.64 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 62.01 1s72 h SER 53 Cb 2.97 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 65.07 1s72 h SER 53 CO -0.01 0.16 0.38 0.40 -0.87 0.00 0.00 176.83 176.89 1s72 h ILE 54 N 0.42 1.21 0.08 0.95 2.04 -0.11 -1.25 117.51 120.84 1s72 h ILE 54 Ca 0.29 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1s72 h ILE 54 Cb 0.33 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1s72 h ILE 54 CO -0.28 0.22 -0.04 -1.13 0.00 0.00 0.00 178.15 176.93 1s72 h ASN 55 N 0.92 -0.09 0.02 1.72 -1.24 -1.35 -1.30 115.58 114.26 1s72 h ASN 55 Ca 0.24 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1s72 h ASN 55 Cb 0.02 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1s72 h ASN 55 CO -0.04 -0.02 -0.05 -0.33 -1.29 0.00 0.00 177.43 175.70 1s72 h GLU 56 N -0.14 0.08 -0.07 6.67 5.08 -0.85 -0.20 114.58 125.15 1s72 h GLU 56 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1s72 h GLU 56 Cb 0.11 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1s72 h GLU 56 CO 0.02 0.14 -0.02 0.00 -1.00 0.00 0.00 179.01 178.15 1s72 h ALA 57 N 1.87 0.10 0.00 3.43 0.00 -0.72 -0.67 119.26 123.27 1s72 h ALA 57 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1s72 h ALA 57 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s72 h ALA 57 CO 0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 179.25 178.72 1s72 h ALA 58 N 0.66 1.40 -0.42 0.00 0.00 -0.60 -2.78 119.26 117.53 1s72 h ALA 58 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s72 h ALA 58 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s72 h ALA 58 CO 0.01 0.45 0.00 0.91 0.00 0.00 0.00 179.25 180.62 1s72 n TRP 59 N -4.10 0.55 -0.30 0.00 7.02 -0.15 -4.60 117.44 115.86 1s72 n TRP 59 Ca -0.02 -0.28 0.12 0.00 -1.02 0.00 0.00 57.50 56.30 1s72 n TRP 59 Cb 0.40 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.57 1s72 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s72 h ALA 60 N 4.30 1.33 -0.58 6.99 0.00 -0.82 -1.35 119.26 129.12 1s72 h ALA 60 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1s72 h ALA 60 Cb 0.84 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1s72 h ALA 60 CO 0.00 -0.37 0.19 0.54 0.00 0.00 0.00 179.25 179.61 1s72 n ARG 61 N -5.10 2.53 0.00 0.00 1.74 -1.26 -5.06 116.66 109.50 1s72 n ARG 61 Ca 0.21 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 1s72 n ARG 61 Cb 0.63 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1s72 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 62 N -0.82 0.37 0.27 -0.13 0.00 -0.51 -4.09 105.19 100.28 1s72 n GLY 62 Ca 0.40 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.65 1s72 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s72 h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.88 -3.25 114.38 113.29 1s72 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s72 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1s72 h ARG 63 CO 0.00 0.04 -1.20 0.00 -1.51 0.00 0.00 179.97 177.30 1s72 n ALA 64 N -2.12 4.09 -3.37 2.80 0.00 -1.26 -1.59 120.51 119.06 1s72 n ALA 64 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1s72 n ALA 64 Cb 0.32 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1s72 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s72 n ASN 65 N -1.66 4.17 -4.80 0.00 3.02 -1.23 -4.79 115.26 109.97 1s72 n ASN 65 Ca 0.02 -3.43 -0.36 0.00 -0.03 0.00 0.00 54.58 50.77 1s72 n ASN 65 Cb 0.37 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 1s72 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s72 s THR 66 N -2.49 4.41 0.62 3.41 2.01 -1.26 -4.32 115.64 118.02 1s72 s THR 66 Ca 0.38 1.52 -0.16 0.00 0.31 0.00 0.00 61.69 63.73 1s72 s THR 66 Cb 0.12 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1s72 s THR 66 CO 0.00 0.18 1.11 -2.16 -0.69 0.00 0.00 174.62 173.07 1s72 s PRO 67 N -2.01 2.99 0.49 4.92 0.04 -1.26 -4.94 135.00 135.23 1s72 s PRO 67 Ca 0.46 1.46 0.29 0.00 0.04 0.00 0.00 61.00 63.24 1s72 s PRO 67 Cb -0.17 -1.97 1.07 0.00 0.04 0.00 0.00 34.50 33.46 1s72 s PRO 67 CO 0.22 -1.11 1.88 0.66 0.04 0.00 0.00 177.00 178.69 1s72 h SER 68 N 0.41 0.00 -5.59 6.66 4.64 -1.96 -3.43 113.55 114.28 1s72 h SER 68 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 1s72 h SER 68 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 1s72 h SER 68 CO 0.55 0.09 -0.58 -0.54 -0.87 0.00 0.00 176.83 175.48 1s72 s LYS 69 N -3.60 1.26 -0.30 4.77 1.02 -1.26 0.45 119.74 122.08 1s72 s LYS 69 Ca 0.02 -1.63 -0.13 0.00 0.02 0.00 0.00 55.97 54.24 1s72 s LYS 69 Cb 0.09 0.29 0.13 0.00 -0.52 0.00 0.00 37.83 37.82 1s72 s LYS 69 CO 0.59 -0.42 0.78 -1.50 -0.92 0.00 0.00 175.35 173.89 1s72 s ILE 70 N -4.10 -0.63 -0.10 2.17 2.07 -0.94 -4.93 121.20 114.74 1s72 s ILE 70 Ca 0.38 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.35 1s72 s ILE 70 Cb 0.06 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 1s72 s ILE 70 CO 0.13 0.00 0.88 -0.13 -1.91 0.00 0.00 174.94 173.90 1s72 s ARG 71 N 2.46 4.41 -0.03 3.50 0.52 -1.26 -1.45 118.95 127.09 1s72 s ARG 71 Ca -0.06 1.16 0.03 0.00 -0.52 0.00 0.00 55.73 56.34 1s72 s ARG 71 Cb -0.09 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1s72 s ARG 71 CO -0.18 -0.19 -0.12 0.54 0.02 0.00 0.00 175.30 175.37 1s72 s VAL 72 N 1.60 1.04 -0.28 3.52 0.11 0.93 -3.74 120.40 123.59 1s72 s VAL 72 Ca 0.43 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.87 1s72 s VAL 72 Cb -0.18 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1s72 s VAL 72 CO 0.18 0.31 0.19 -0.60 -3.33 0.00 0.00 175.10 171.85 1s72 s ARG 73 N 0.12 3.89 0.05 1.54 3.52 0.07 -0.54 118.95 127.60 1s72 s ARG 73 Ca -0.03 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 1s72 s ARG 73 Cb -0.10 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 1s72 s ARG 73 CO 0.01 -0.20 -0.17 0.00 -0.81 0.00 0.00 175.30 174.13 1s72 s ALA 74 N 1.75 1.42 0.04 6.12 0.00 -0.75 -0.56 121.76 129.77 1s72 s ALA 74 Ca 0.07 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1s72 s ALA 74 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1s72 s ALA 74 CO 0.10 0.28 -0.22 0.00 0.00 0.00 0.00 175.76 175.93 1s72 s ALA 75 N -0.91 1.89 -0.03 0.00 0.00 -0.12 -1.60 121.76 120.99 1s72 s ALA 75 Ca 0.04 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1s72 s ALA 75 Cb -0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1s72 s ALA 75 CO 0.02 0.43 -0.25 0.50 0.00 0.00 0.00 175.76 176.47 1s72 s ARG 76 N -1.12 2.22 0.00 0.00 3.52 -1.26 -0.61 118.95 121.70 1s72 s ARG 76 Ca 0.09 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1s72 s ARG 76 Cb -0.09 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 31.21 1s72 s ARG 76 CO 0.02 0.54 0.00 1.97 -0.81 0.00 0.00 175.30 177.01 1s72 n PHE 77 N 2.51 0.00 -0.92 5.12 1.16 -0.74 -4.71 117.46 119.89 1s72 n PHE 77 Ca -0.16 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.44 1s72 n PHE 77 Cb 0.51 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.38 1s72 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1s72 n GLU 78 N 0.00 -0.38 0.00 3.97 2.13 -1.26 -1.67 120.64 123.42 1s72 n GLU 78 Ca 0.00 0.25 0.14 0.00 0.66 0.00 0.00 57.16 58.21 1s72 n GLU 78 Cb 0.00 -0.47 0.61 0.00 0.27 0.00 0.00 31.44 31.86 1s72 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1s72 n GLU 79 N -1.31 0.29 0.00 5.31 -0.00 -1.26 -3.72 120.64 119.96 1s72 n GLU 79 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 1s72 n GLU 79 Cb 0.09 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.03 1s72 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1s72 n GLU 80 N -1.30 2.89 -0.12 3.44 2.13 -1.26 -5.11 120.64 121.31 1s72 n GLU 80 Ca 0.11 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1s72 n GLU 80 Cb 0.30 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.45 1s72 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s72 n GLY 81 N 0.45 -2.42 3.82 8.31 0.00 -1.23 -4.99 105.19 109.13 1s72 n GLY 81 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 1s72 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s72 s GLU 82 N -3.84 1.16 -0.03 1.61 -1.05 -0.67 -4.82 118.70 111.05 1s72 s GLU 82 Ca 0.00 -0.71 -0.02 0.00 -0.15 0.00 0.00 54.97 54.09 1s72 s GLU 82 Cb 0.00 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1s72 s GLU 82 CO 0.00 -0.54 0.08 0.00 0.95 0.00 0.00 175.26 175.75 1s72 s ALA 83 N -2.55 -0.14 -0.17 -0.84 0.00 -0.99 -1.79 121.76 115.28 1s72 s ALA 83 Ca 0.18 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 1s72 s ALA 83 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1s72 s ALA 83 CO 0.03 -0.08 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 1s72 s ILE 84 N 0.57 2.68 0.08 0.00 1.01 0.22 -0.99 121.20 124.77 1s72 s ILE 84 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1s72 s ILE 84 Cb -0.06 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1s72 s ILE 84 CO -0.02 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.54 1s72 s VAL 85 N 1.00 1.55 0.26 2.92 1.01 -0.49 -0.94 120.40 125.71 1s72 s VAL 85 Ca -0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1s72 s VAL 85 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1s72 s VAL 85 CO -0.03 -0.05 0.33 -1.83 0.00 0.00 0.00 175.10 173.52 1s72 s GLU 86 N -1.73 1.54 0.89 2.72 -1.05 0.27 -0.29 118.70 121.05 1s72 s GLU 86 Ca 0.05 -1.61 -0.15 0.00 -0.15 0.00 0.00 54.97 53.11 1s72 s GLU 86 Cb -0.10 0.37 0.22 0.00 -0.44 0.00 0.00 34.13 34.19 1s72 s GLU 86 CO 0.03 -0.59 0.68 0.00 0.95 0.00 0.00 175.26 176.33 1s72 n ALA 87 N -0.42 -2.77 -1.28 -0.84 0.00 -1.26 -0.75 120.51 113.19 1s72 n ALA 87 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1s72 n ALA 87 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1s72 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89