#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c15 s ASP 2 N 0.00 6.61 0.56 6.12 1.47 -1.26 -4.95 116.67 125.22 1c15 s ASP 2 Ca 0.00 0.72 0.29 0.00 1.18 0.00 0.00 52.55 54.75 1c15 s ASP 2 Cb 0.00 -2.26 1.65 0.00 -0.34 0.00 0.00 42.92 41.96 1c15 s ASP 2 CO 0.00 -0.01 2.16 0.00 0.68 0.00 0.00 175.17 178.00 1c15 h ALA 3 N 6.83 1.36 -0.35 2.11 0.00 -1.98 -2.24 119.26 125.01 1c15 h ALA 3 Ca -0.40 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1c15 h ALA 3 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1c15 h ALA 3 CO 0.75 0.08 0.26 -0.22 0.00 0.00 0.00 179.25 180.12 1c15 h LYS 4 N 0.00 0.00 -0.67 0.00 3.64 -1.92 -0.93 116.57 116.68 1c15 h LYS 4 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1c15 h LYS 4 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1c15 h LYS 4 CO 0.01 0.00 0.28 0.00 -2.27 0.00 0.00 179.45 177.47 1c15 h ALA 5 N 1.80 1.22 0.00 5.00 0.00 -1.40 -1.76 119.26 124.12 1c15 h ALA 5 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1c15 h ALA 5 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1c15 h ALA 5 CO -0.00 0.57 -0.34 -0.09 0.00 0.00 0.00 179.25 179.39 1c15 h ARG 6 N 0.97 0.00 0.00 0.00 2.43 -1.35 -2.70 114.38 113.73 1c15 h ARG 6 Ca 0.23 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 1c15 h ARG 6 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1c15 h ARG 6 CO -0.02 0.34 -0.70 -0.91 -1.51 0.00 0.00 179.97 177.17 1c15 h ASN 7 N 0.00 0.00 0.09 -3.80 2.35 -1.31 -3.18 115.58 109.73 1c15 h ASN 7 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1c15 h ASN 7 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1c15 h ASN 7 CO 0.04 0.70 -0.05 0.00 -1.65 0.00 0.00 177.43 176.48 1c15 h LEU 9 N -0.21 0.76 -0.85 0.00 7.12 -1.65 -1.85 115.31 118.64 1c15 h LEU 9 Ca -0.01 -0.10 -0.10 0.00 0.13 0.00 0.00 57.88 57.80 1c15 h LEU 9 Cb 0.17 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 1c15 h LEU 9 CO 0.02 0.68 -0.47 -0.07 -0.13 0.00 0.00 178.44 178.48 1c15 h LEU 10 N 0.82 0.00 -3.69 2.25 3.38 -1.46 -2.94 115.31 113.68 1c15 h LEU 10 Ca 0.20 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.82 1c15 h LEU 10 Cb 0.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.70 1c15 h LEU 10 CO -0.02 0.47 0.45 1.67 0.09 0.00 0.00 178.44 181.10 1c15 n GLN 11 N -3.62 2.75 -0.60 1.13 7.27 0.77 -4.20 117.38 120.87 1c15 n GLN 11 Ca -0.01 -2.76 0.06 0.00 0.07 0.00 0.00 57.00 54.37 1c15 n GLN 11 Cb 0.56 -2.10 0.15 0.00 2.41 0.00 0.00 30.24 31.26 1c15 n GLN 11 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1c15 n HIS 12 N -0.60 0.00 0.06 3.69 -0.00 -0.99 -4.75 115.22 112.62 1c15 n HIS 12 Ca 0.47 -1.13 -0.14 0.00 0.46 0.00 0.00 57.72 57.37 1c15 n HIS 12 Cb 1.45 -0.20 -0.05 0.00 -0.12 0.00 0.00 29.99 31.07 1c15 n HIS 12 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1c15 h ARG 13 N 0.69 0.47 -0.29 1.57 2.43 -1.77 -0.81 114.38 116.68 1c15 h ARG 13 Ca -0.03 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.52 1c15 h ARG 13 Cb 1.16 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1c15 h ARG 13 CO 0.01 1.14 -0.31 1.49 -1.51 0.00 0.00 179.97 180.80 1c15 h GLU 14 N 0.27 0.60 0.01 0.20 4.81 -1.93 0.33 114.58 118.86 1c15 h GLU 14 Ca -0.08 -0.26 -0.25 0.00 -0.13 0.00 0.00 59.36 58.63 1c15 h GLU 14 Cb 1.58 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.90 1c15 h GLU 14 CO 0.17 0.84 -1.36 0.00 -0.73 0.00 0.00 179.01 177.92 1c15 h ALA 15 N 1.15 0.55 0.15 2.92 0.00 -1.90 -3.20 119.26 118.93 1c15 h ALA 15 Ca 0.06 -1.19 -0.21 0.00 0.00 0.00 0.00 54.91 53.58 1c15 h ALA 15 Cb 0.79 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1c15 h ALA 15 CO 0.06 1.41 -0.95 1.25 0.00 0.00 0.00 179.25 181.02 1c15 h LEU 16 N 0.00 0.50 -1.44 0.00 5.85 -1.07 -2.38 115.31 116.77 1c15 h LEU 16 Ca -0.15 -0.94 0.03 0.00 0.84 0.00 0.00 57.88 57.65 1c15 h LEU 16 Cb 1.90 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 1c15 h LEU 16 CO 0.11 1.45 0.40 -0.08 -0.34 0.00 0.00 178.44 179.98 1c15 h GLU 17 N -0.32 0.72 0.12 1.25 4.81 -0.47 0.89 114.58 121.59 1c15 h GLU 17 Ca -0.17 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.76 1c15 h GLU 17 Cb 1.71 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 30.95 1c15 h GLU 17 CO 0.15 0.48 -1.07 -0.22 -0.73 0.00 0.00 179.01 177.62 1c15 h LYS 18 N 0.74 0.51 0.00 1.92 3.64 -1.63 -3.39 116.57 118.36 1c15 h LYS 18 Ca 0.24 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1c15 h LYS 18 Cb 0.04 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1c15 h LYS 18 CO -0.06 1.31 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.87 1c15 h ASP 19 N 0.05 0.00 -3.54 4.20 5.19 -1.02 -3.44 116.42 117.87 1c15 h ASP 19 Ca -0.17 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.56 1c15 h ASP 19 Cb 1.78 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.12 1c15 h ASP 19 CO 0.20 0.30 -0.08 -0.63 -3.12 0.00 0.00 179.24 175.91 1c15 s ILE 20 N -1.43 4.99 -0.08 0.35 -1.09 0.30 -5.05 121.20 119.19 1c15 s ILE 20 Ca -0.04 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1c15 s ILE 20 Cb 0.00 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1c15 s ILE 20 CO 0.05 -0.51 0.08 -0.54 -1.23 0.00 0.00 174.94 172.80 1c15 s LYS 21 N 2.39 3.21 -0.23 2.79 1.02 -1.26 -3.92 119.74 123.74 1c15 s LYS 21 Ca 0.16 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.78 1c15 s LYS 21 Cb -0.16 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 1c15 s LYS 21 CO 0.15 0.72 0.61 0.25 -0.92 0.00 0.00 175.35 176.17 1c15 n THR 22 N 1.84 0.00 -3.53 2.17 -2.24 -1.26 -4.77 114.28 106.49 1c15 n THR 22 Ca -0.18 -0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.52 1c15 n THR 22 Cb 0.54 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1c15 n THR 22 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c15 n SER 23 N 2.26 -1.53 -0.23 3.42 3.41 -1.26 -4.92 113.62 114.76 1c15 n SER 23 Ca 0.16 -2.06 0.23 0.00 -0.26 0.00 0.00 58.87 56.93 1c15 n SER 23 Cb 0.01 2.55 0.41 0.00 -0.26 0.00 0.00 64.21 66.92 1c15 n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c15 n TYR 24 N -0.36 0.74 0.18 7.33 9.36 -1.26 0.98 117.16 134.13 1c15 n TYR 24 Ca -0.06 0.75 -0.08 0.00 3.32 0.00 0.00 57.90 61.82 1c15 n TYR 24 Cb 0.39 -1.17 -0.04 0.00 -0.63 0.00 0.00 39.34 37.89 1c15 n TYR 24 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1c15 h ILE 25 N 0.00 0.00 0.01 2.97 1.08 -1.95 -0.01 117.51 119.62 1c15 h ILE 25 Ca 0.58 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.80 1c15 h ILE 25 Cb 1.59 0.00 0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1c15 h ILE 25 CO -0.49 0.00 -0.98 0.24 -0.69 0.00 0.00 178.15 176.24 1c15 h MET 26 N -0.51 0.64 0.52 2.37 2.86 -1.25 -2.98 114.93 116.58 1c15 h MET 26 Ca -0.04 -0.71 -0.02 0.00 -2.06 0.00 0.00 59.70 56.88 1c15 h MET 26 Cb 0.41 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1c15 h MET 26 CO 0.03 1.29 -0.51 0.22 1.06 0.00 0.00 176.91 179.00 1c15 h ASP 27 N 0.28 -1.41 -0.93 1.22 3.58 0.56 -1.13 116.42 118.60 1c15 h ASP 27 Ca -0.13 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.52 1c15 h ASP 27 Cb 1.64 0.46 -0.06 0.00 1.72 0.00 0.00 39.33 43.09 1c15 h ASP 27 CO 0.19 -0.68 0.60 -0.74 -2.88 0.00 0.00 179.24 175.73 1c15 h HIS 28 N -1.03 1.06 0.00 0.28 2.76 -1.12 -0.06 115.15 117.05 1c15 h HIS 28 Ca -0.07 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1c15 h HIS 28 Cb 0.89 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1c15 h HIS 28 CO -0.26 0.52 -0.12 1.98 -1.30 0.00 0.00 177.93 178.75 1c15 h MET 29 N 1.01 0.00 0.10 5.26 1.85 -1.27 0.52 114.93 122.39 1c15 h MET 29 Ca 0.41 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 59.21 1c15 h MET 29 Cb 0.28 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1c15 h MET 29 CO -0.17 0.12 -1.46 0.82 -0.40 0.00 0.00 176.91 175.83 1c15 h ILE 30 N 0.00 1.23 0.00 1.77 2.04 0.22 -3.33 117.51 119.43 1c15 h ILE 30 Ca -0.00 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1c15 h ILE 30 Cb 0.24 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1c15 h ILE 30 CO 0.02 0.82 -0.68 0.28 0.00 0.00 0.00 178.15 178.58 1c15 h SER 31 N 0.06 0.00 -0.09 1.72 0.02 -0.88 -3.06 113.55 111.31 1c15 h SER 31 Ca -0.21 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1c15 h SER 31 Cb 1.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.52 1c15 h SER 31 CO 0.16 0.02 0.14 -0.78 -1.14 0.00 0.00 176.83 175.23 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -0.08 -3.44 116.42 119.55 1c15 h ASP 32 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c15 h ASP 32 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1c15 h ASP 32 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1c15 n GLY 33 N -1.30 0.80 0.17 -0.78 0.00 -1.25 -5.04 105.19 97.79 1c15 n GLY 33 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1c15 n GLY 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1c15 h PHE 34 N 0.00 -0.50 -1.84 1.61 -1.00 -1.70 -3.44 116.94 110.08 1c15 h PHE 34 Ca 0.00 0.01 -0.50 0.00 2.81 0.00 0.00 57.97 60.29 1c15 h PHE 34 Cb 0.00 0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 1c15 h PHE 34 CO 0.00 -0.22 -0.45 -0.51 -1.61 0.00 0.00 178.31 175.52 1c15 s LEU 35 N -6.49 3.58 1.19 1.54 2.01 -1.16 -4.99 118.68 114.35 1c15 s LEU 35 Ca -0.06 -0.51 -0.13 0.00 0.01 0.00 0.00 54.13 53.44 1c15 s LEU 35 Cb 0.02 -2.19 0.29 0.00 0.01 0.00 0.00 46.19 44.31 1c15 s LEU 35 CO 0.21 -0.36 0.97 0.35 1.01 0.00 0.00 176.35 178.53 1c15 n THR 36 N -1.37 0.00 0.10 5.49 -2.24 -1.26 -4.63 114.28 110.38 1c15 n THR 36 Ca -0.02 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.34 1c15 n THR 36 Cb 0.60 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1c15 n THR 36 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1c15 h ILE 37 N -2.71 0.59 -0.05 2.28 2.04 -1.95 -3.29 117.51 114.42 1c15 h ILE 37 Ca -0.62 -1.93 0.01 0.00 1.00 0.00 0.00 64.86 63.32 1c15 h ILE 37 Cb 1.34 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1c15 h ILE 37 CO 0.49 0.33 0.07 0.28 0.00 0.00 0.00 178.15 179.32 1c15 h SER 38 N 0.00 0.00 -0.56 1.72 0.02 -1.98 -1.50 113.55 111.25 1c15 h SER 38 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1c15 h SER 38 Cb 1.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 1c15 h SER 38 CO 0.05 0.00 0.34 -0.08 -1.14 0.00 0.00 176.83 176.00 1c15 h GLU 39 N 0.00 0.77 -0.58 3.45 4.81 -1.94 -1.91 114.58 119.18 1c15 h GLU 39 Ca 0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1c15 h GLU 39 Cb 0.15 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1c15 h GLU 39 CO -0.00 0.54 0.30 1.49 -0.73 0.00 0.00 179.01 180.61 1c15 h GLU 40 N 0.78 0.81 0.00 1.92 4.81 -1.51 -0.38 114.58 121.02 1c15 h GLU 40 Ca 0.21 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1c15 h GLU 40 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1c15 h GLU 40 CO -0.04 0.61 -0.38 1.49 -0.73 0.00 0.00 179.01 179.96 1c15 h GLU 41 N 0.81 0.00 0.00 1.92 4.81 -1.47 -2.72 114.58 117.94 1c15 h GLU 41 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1c15 h GLU 41 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1c15 h GLU 41 CO -0.03 0.38 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.29 1c15 h LYS 42 N 0.00 0.00 -1.12 1.92 3.64 -1.07 -3.35 116.57 116.59 1c15 h LYS 42 Ca -0.00 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 1c15 h LYS 42 Cb 0.83 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 1c15 h LYS 42 CO 0.05 0.00 0.76 0.28 -2.27 0.00 0.00 179.45 178.27 1c15 h VAL 43 N -0.83 0.44 -0.78 2.00 2.07 -1.21 0.66 116.25 118.60 1c15 h VAL 43 Ca 0.00 -0.07 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1c15 h VAL 43 Cb 0.12 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 1c15 h VAL 43 CO 0.00 0.04 0.03 -0.09 0.02 0.00 0.00 177.57 177.57 1c15 h ARG 44 N 0.21 0.11 0.00 1.57 2.43 -1.62 -3.28 114.38 113.80 1c15 h ARG 44 Ca 0.60 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.70 1c15 h ARG 44 Cb 1.91 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 31.31 1c15 h ARG 44 CO -0.19 0.07 -0.56 0.09 -1.51 0.00 0.00 179.97 177.88 1c15 n ASN 45 N -5.34 0.19 -0.05 -3.80 4.13 -0.54 -4.92 115.26 104.93 1c15 n ASN 45 Ca 0.15 -1.85 -0.16 0.00 1.68 0.00 0.00 54.58 54.40 1c15 n ASN 45 Cb 0.51 -0.15 -0.13 0.00 -1.54 0.00 0.00 39.78 38.47 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1c15 h GLU 46 N 0.29 0.05 -7.52 3.52 4.22 0.22 -3.47 114.58 111.90 1c15 h GLU 46 Ca -0.12 -0.09 -0.46 0.00 0.08 0.00 0.00 59.36 58.76 1c15 h GLU 46 Cb 1.48 0.03 0.12 0.00 0.50 0.00 0.00 28.75 30.89 1c15 h GLU 46 CO 0.00 1.04 0.32 -1.25 -2.18 0.00 0.00 179.01 176.95 1c15 s PRO 47 N -2.28 1.33 0.00 0.92 0.04 -1.26 -5.02 135.00 128.73 1c15 s PRO 47 Ca -0.20 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1c15 s PRO 47 Cb -0.01 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1c15 s PRO 47 CO 0.70 -2.06 0.00 2.41 0.04 0.00 0.00 177.00 178.09 1c15 n THR 48 N -3.67 0.00 -1.30 1.26 -1.04 -1.26 -4.99 114.28 103.28 1c15 n THR 48 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1c15 n THR 48 Cb 0.60 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1c15 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c15 n GLN 49 N -1.85 3.71 0.00 -2.82 1.13 -1.26 -4.94 117.38 111.36 1c15 n GLN 49 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1c15 n GLN 49 Cb 0.08 0.00 0.39 0.00 0.11 0.00 0.00 30.24 30.82 1c15 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1c15 n GLN 50 N 0.00 0.13 0.30 -1.09 10.64 -1.26 -3.19 117.38 122.92 1c15 n GLN 50 Ca 0.00 0.17 0.18 0.00 -1.83 0.00 0.00 57.00 55.52 1c15 n GLN 50 Cb 0.00 -1.50 0.93 0.00 -0.86 0.00 0.00 30.24 28.81 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1c15 h GLN 51 N 0.00 0.00 -0.79 2.61 4.15 -1.99 -1.64 115.11 117.44 1c15 h GLN 51 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1c15 h GLN 51 Cb 0.21 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1c15 h GLN 51 CO 0.00 0.00 0.55 -0.09 -1.93 0.00 0.00 178.83 177.36 1c15 h ARG 52 N 0.00 0.21 0.00 1.69 2.43 -1.93 0.29 114.38 117.07 1c15 h ARG 52 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1c15 h ARG 52 Cb 0.48 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1c15 h ARG 52 CO -0.00 0.14 -0.67 0.00 -1.51 0.00 0.00 179.97 177.92 1c15 n ALA 53 N -2.60 3.55 0.03 2.80 0.00 -0.62 -3.08 120.51 120.59 1c15 n ALA 53 Ca 0.16 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 1c15 n ALA 53 Cb 0.72 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 1c15 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c15 h ALA 54 N 2.83 0.16 0.16 0.00 0.00 -0.56 -3.16 119.26 118.70 1c15 h ALA 54 Ca 0.00 -1.09 -0.23 0.00 0.00 0.00 0.00 54.91 53.59 1c15 h ALA 54 Cb 0.58 0.46 0.03 0.00 0.00 0.00 0.00 17.79 18.86 1c15 h ALA 54 CO 0.00 0.86 -1.00 1.98 0.00 0.00 0.00 179.25 181.10 1c15 h MET 55 N -0.20 0.40 -0.87 0.00 -1.53 -1.44 -2.20 114.93 109.08 1c15 h MET 55 Ca -0.31 -0.64 0.01 0.00 -3.44 0.00 0.00 59.70 55.32 1c15 h MET 55 Cb 1.85 0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 33.08 1c15 h MET 55 CO 0.09 1.29 0.57 1.25 0.14 0.00 0.00 176.91 180.26 1c15 h LEU 56 N -0.16 1.01 -0.18 3.39 5.85 -1.73 0.50 115.31 123.99 1c15 h LEU 56 Ca -0.17 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.30 1c15 h LEU 56 Cb 1.77 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1c15 h LEU 56 CO 0.19 0.74 -0.95 0.40 -0.34 0.00 0.00 178.44 178.48 1c15 h ILE 57 N 1.19 1.46 -0.40 4.05 5.03 -1.63 -3.19 117.51 124.01 1c15 h ILE 57 Ca 0.32 -2.61 -0.12 0.00 -0.12 0.00 0.00 64.86 62.33 1c15 h ILE 57 Cb -0.12 2.51 -0.01 0.00 -3.03 0.00 0.00 36.82 36.16 1c15 h ILE 57 CO -0.07 0.77 -0.24 0.11 -0.68 0.00 0.00 178.15 178.04 1c15 h LYS 58 N 0.16 0.82 -0.51 2.37 1.57 -0.78 -2.80 116.57 117.40 1c15 h LYS 58 Ca -0.07 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1c15 h LYS 58 Cb 1.60 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.85 1c15 h LYS 58 CO 0.15 0.98 0.34 0.52 -0.57 0.00 0.00 179.45 180.87 1c15 h MET 59 N 0.71 0.66 0.13 3.15 2.86 -0.93 0.79 114.93 122.31 1c15 h MET 59 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1c15 h MET 59 Cb 0.77 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1c15 h MET 59 CO 0.06 0.44 -0.13 0.82 1.06 0.00 0.00 176.91 179.16 1c15 h ILE 60 N 0.68 0.70 0.00 -1.22 2.04 -1.48 -1.90 117.51 116.33 1c15 h ILE 60 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 1c15 h ILE 60 Cb -0.06 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1c15 h ILE 60 CO -0.04 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.87 1c15 h LEU 61 N -0.29 0.00 -0.96 1.44 -0.00 -1.49 -3.11 115.31 110.90 1c15 h LEU 61 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.80 1c15 h LEU 61 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1c15 h LEU 61 CO -0.04 0.17 -0.42 0.11 -0.00 0.00 0.00 178.44 178.25 1c15 h LYS 62 N 0.00 0.00 0.23 1.13 1.79 -0.32 -3.32 116.57 116.08 1c15 h LYS 62 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1c15 h LYS 62 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1c15 h LYS 62 CO 0.02 0.42 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.49 1c15 h LYS 63 N 0.00 -0.29 -2.54 3.15 1.63 -1.29 -3.49 116.57 113.74 1c15 h LYS 63 Ca -0.00 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1c15 h LYS 63 Cb 0.90 0.07 -0.15 0.00 -0.60 0.00 0.00 32.23 32.45 1c15 h LYS 63 CO 0.06 -0.20 0.21 0.34 -3.45 0.00 0.00 179.45 176.40 1c15 s ASP 64 N -3.65 -0.61 0.37 4.20 -1.08 -1.25 -5.03 116.67 109.62 1c15 s ASP 64 Ca -0.04 0.32 0.16 0.00 -0.52 0.00 0.00 52.55 52.46 1c15 s ASP 64 Cb 0.00 0.57 0.70 0.00 -1.46 0.00 0.00 42.92 42.74 1c15 s ASP 64 CO 0.13 -0.80 1.77 0.78 0.52 0.00 0.00 175.17 177.57 1c15 h ASN 65 N 2.45 0.00 -0.57 -0.34 2.35 -1.89 -2.94 115.58 114.63 1c15 h ASN 65 Ca -0.31 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1c15 h ASN 65 Cb 1.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 1c15 h ASN 65 CO 0.38 0.40 0.26 0.44 -1.65 0.00 0.00 177.43 177.26 1c15 h ASP 66 N 0.00 0.80 -0.27 5.81 3.32 -1.96 -2.08 116.42 122.03 1c15 h ASP 66 Ca -0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1c15 h ASP 66 Cb 0.80 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1c15 h ASP 66 CO 0.05 0.71 0.15 -1.28 -1.72 0.00 0.00 179.24 177.15 1c15 h SER 67 N 0.87 0.37 -0.70 6.45 0.87 -1.84 -2.05 113.55 117.52 1c15 h SER 67 Ca 0.21 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1c15 h SER 67 Cb 0.15 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1c15 h SER 67 CO -0.02 0.31 0.14 0.22 -0.53 0.00 0.00 176.83 176.96 1c15 h TYR 68 N 0.42 1.20 -0.08 2.24 3.20 -1.47 -2.07 116.97 120.41 1c15 h TYR 68 Ca 0.11 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 1c15 h TYR 68 Cb 0.04 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1c15 h TYR 68 CO 0.00 0.98 -0.39 0.28 -1.64 0.00 0.00 178.16 177.39 1c15 h VAL 69 N 1.07 1.30 -0.30 1.81 2.07 -1.34 -2.96 116.25 117.90 1c15 h VAL 69 Ca 0.22 -1.44 -0.17 0.00 0.82 0.00 0.00 66.70 66.12 1c15 h VAL 69 Cb 0.41 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1c15 h VAL 69 CO 0.01 0.43 -0.48 -1.28 0.02 0.00 0.00 177.57 176.26 1c15 h SER 70 N 0.15 0.89 -0.92 0.57 0.87 -1.06 -3.02 113.55 111.04 1c15 h SER 70 Ca 0.02 -0.45 0.12 0.00 -1.23 0.00 0.00 61.79 60.25 1c15 h SER 70 Cb 0.76 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 1c15 h SER 70 CO 0.06 1.22 0.59 0.15 -0.53 0.00 0.00 176.83 178.32 1c15 h PHE 71 N 0.65 0.95 -0.22 2.24 3.57 -1.21 0.36 116.94 123.27 1c15 h PHE 71 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1c15 h PHE 71 Cb 1.07 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1c15 h PHE 71 CO 0.06 0.38 0.04 -0.92 -2.23 0.00 0.00 178.31 175.64 1c15 h TYR 72 N 0.83 0.38 0.00 0.41 3.20 -1.53 -2.38 116.97 117.88 1c15 h TYR 72 Ca 0.45 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 1c15 h TYR 72 Cb 0.56 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1c15 h TYR 72 CO -0.00 0.49 -0.36 -0.97 -1.64 0.00 0.00 178.16 175.68 1c15 h ASN 73 N 0.16 0.00 -0.24 -2.11 -1.24 -1.24 -2.81 115.58 108.10 1c15 h ASN 73 Ca 0.07 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 1c15 h ASN 73 Cb 0.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1c15 h ASN 73 CO 0.00 0.36 -0.11 0.00 -1.29 0.00 0.00 177.43 176.39 1c15 h ALA 74 N 1.64 0.34 -0.38 1.57 0.00 -0.08 -2.77 119.26 119.58 1c15 h ALA 74 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1c15 h ALA 74 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1c15 h ALA 74 CO 0.05 0.19 -0.29 -0.07 0.00 0.00 0.00 179.25 179.13 1c15 h LEU 75 N 0.22 0.84 -1.06 0.00 3.38 -1.40 -2.58 115.31 114.71 1c15 h LEU 75 Ca 0.05 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1c15 h LEU 75 Cb 0.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1c15 h LEU 75 CO 0.03 1.07 0.00 -0.07 0.09 0.00 0.00 178.44 179.57 1c15 h LEU 76 N 0.69 0.00 -2.31 1.67 3.38 -1.46 -2.56 115.31 114.73 1c15 h LEU 76 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1c15 h LEU 76 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1c15 h LEU 76 CO 0.07 0.00 -0.04 -0.74 0.09 0.00 0.00 178.44 177.82 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -1.16 -3.38 115.15 114.50 1c15 h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1c15 h HIS 77 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1c15 h HIS 77 CO 0.00 0.04 0.00 0.39 -1.30 0.00 0.00 177.93 177.06 1c15 n GLU 78 N -3.44 0.00 -1.31 5.26 -0.58 -0.98 -5.03 120.64 114.55 1c15 n GLU 78 Ca -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.71 1c15 n GLU 78 Cb 0.16 -0.12 0.01 0.00 -0.57 0.00 0.00 31.44 30.92 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c15 n GLY 79 N 2.87 -0.26 1.38 0.62 0.00 -1.22 -4.98 105.19 103.59 1c15 n GLY 79 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1c15 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c15 n TYR 80 N -0.22 1.29 -0.40 1.61 4.01 -1.10 -4.50 117.16 117.85 1c15 n TYR 80 Ca -0.05 -0.49 0.38 0.00 -0.16 0.00 0.00 57.90 57.58 1c15 n TYR 80 Cb 0.50 -0.26 0.75 0.00 -0.31 0.00 0.00 39.34 40.01 1c15 n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1c15 h LYS 81 N 3.18 0.03 0.83 -0.72 3.64 -1.89 0.42 116.57 122.05 1c15 h LYS 81 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1c15 h LYS 81 Cb 1.31 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1c15 h LYS 81 CO 0.24 0.02 -0.40 -0.44 -2.27 0.00 0.00 179.45 176.60 1c15 h ASP 82 N 0.03 -0.94 -0.18 4.20 3.32 -1.99 0.91 116.42 121.76 1c15 h ASP 82 Ca 0.65 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.61 1c15 h ASP 82 Cb 2.52 0.24 0.00 0.00 0.22 0.00 0.00 39.33 42.31 1c15 h ASP 82 CO -0.04 -0.63 -0.34 0.25 -1.72 0.00 0.00 179.24 176.76 1c15 h LEU 83 N -1.21 0.61 -0.97 1.55 6.46 -1.58 -3.15 115.31 117.03 1c15 h LEU 83 Ca -0.11 -0.54 0.10 0.00 -0.12 0.00 0.00 57.88 57.21 1c15 h LEU 83 Cb 0.85 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.53 1c15 h LEU 83 CO 0.19 1.04 0.60 0.00 -0.62 0.00 0.00 178.44 179.65 1c15 h ALA 84 N 0.59 1.42 -0.50 1.25 0.00 -0.27 -0.38 119.26 121.37 1c15 h ALA 84 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c15 h ALA 84 Cb 0.93 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1c15 h ALA 84 CO 0.08 0.24 0.30 0.00 0.00 0.00 0.00 179.25 179.87 1c15 h ALA 85 N 1.50 1.58 0.00 0.00 0.00 -0.77 -1.13 119.26 120.44 1c15 h ALA 85 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1c15 h ALA 85 Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1c15 h ALA 85 CO -0.24 0.36 -0.07 1.25 0.00 0.00 0.00 179.25 180.55 1c15 h LEU 86 N 0.69 0.00 0.19 0.00 5.85 -1.04 -1.06 115.31 119.94 1c15 h LEU 86 Ca 0.18 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.56 1c15 h LEU 86 Cb -0.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1c15 h LEU 86 CO -0.03 0.07 -1.70 -0.07 -0.34 0.00 0.00 178.44 176.37 1c15 h LEU 87 N 0.00 0.63 -0.12 2.25 4.07 -1.16 -3.11 115.31 117.87 1c15 h LEU 87 Ca -0.00 -0.89 -0.03 0.00 0.08 0.00 0.00 57.88 57.04 1c15 h LEU 87 Cb 0.14 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1c15 h LEU 87 CO 0.01 1.75 -0.03 -0.74 -1.08 0.00 0.00 178.44 178.35 1c15 h HIS 88 N 0.11 0.26 0.00 1.13 2.76 -1.08 -2.28 115.15 116.05 1c15 h HIS 88 Ca -0.32 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1c15 h HIS 88 Cb 2.10 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 31.00 1c15 h HIS 88 CO 0.10 0.53 0.00 -0.44 -1.30 0.00 0.00 177.93 176.82 1c15 h ASP 89 N -0.08 0.00 0.71 3.26 3.32 -1.37 -2.47 116.42 119.79 1c15 h ASP 89 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1c15 h ASP 89 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1c15 h ASP 89 CO 0.01 0.00 -0.93 0.61 -1.72 0.00 0.00 179.24 177.21 1c15 n GLY 90 N -0.05 -1.34 0.17 2.75 0.00 -1.06 -3.94 105.19 101.73 1c15 n GLY 90 Ca 0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1c15 n GLY 90 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c15 h ILE 91 N 0.00 0.79 0.00 -0.61 2.04 -0.92 -3.40 117.51 115.40 1c15 h ILE 91 Ca 0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1c15 h ILE 91 Cb 0.82 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1c15 h ILE 91 CO 0.00 0.12 0.00 -0.81 0.00 0.00 0.00 178.15 177.46 1c15 n PRO 92 N -5.10 0.00 -4.39 2.37 -0.04 -1.25 -3.37 135.00 123.21 1c15 n PRO 92 Ca -0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 1c15 n PRO 92 Cb 0.25 -0.51 -0.10 0.00 -0.04 0.00 0.00 33.50 33.09 1c15 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1c15 s VAL 93 N -0.25 1.48 -0.10 0.52 1.01 -1.25 -4.83 120.40 116.97 1c15 s VAL 93 Ca 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 61.98 59.80 1c15 s VAL 93 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1c15 s VAL 93 CO 0.00 -0.34 -0.15 0.52 0.00 0.00 0.00 175.10 175.13 1c15 n VAL 94 N -0.52 1.02 0.11 2.92 0.31 -1.26 -4.28 118.33 116.63 1c15 n VAL 94 Ca -0.06 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1c15 n VAL 94 Cb 0.63 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1c15 n VAL 94 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c15 n SER 95 N -3.93 -1.96 0.01 4.52 2.88 -1.26 -4.98 113.62 108.91 1c15 n SER 95 Ca -0.06 0.49 -0.01 0.00 -1.33 0.00 0.00 58.87 57.96 1c15 n SER 95 Cb 0.22 2.03 -0.00 0.00 -0.75 0.00 0.00 64.21 65.71 1c15 n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1c15 n SER 96 N -2.95 0.66 -0.19 -3.46 7.64 -1.26 -5.31 113.62 108.75 1c15 n SER 96 Ca 0.00 0.09 0.15 0.00 1.01 0.00 0.00 58.87 60.13 1c15 n SER 96 Cb 0.00 -0.29 0.78 0.00 -1.01 0.00 0.00 64.21 63.69 1c15 n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83