#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss1 n SER 0 N 0.00 -7.74 0.16 1.61 2.88 -1.26 -4.65 113.62 104.62 1ss1 n SER 0 Ca 0.00 1.20 -0.06 0.00 -1.33 0.00 0.00 58.87 58.68 1ss1 n SER 0 Cb 0.00 -4.69 -0.03 0.00 -0.75 0.00 0.00 64.21 58.74 1ss1 n SER 0 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 h THR 1 N -1.41 0.00 0.00 2.46 1.03 -2.05 -3.45 112.91 109.50 1ss1 h THR 1 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1ss1 h THR 1 Cb 1.33 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 1ss1 h THR 1 CO 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.57 1ss1 n ALA 2 N -2.21 0.00 -0.00 0.00 0.00 -1.26 -3.24 120.51 113.80 1ss1 n ALA 2 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ss1 n ALA 2 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ss1 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ss1 n ASP 3 N 0.00 0.00 0.00 0.00 2.03 -1.26 -4.76 116.55 112.56 1ss1 n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ss1 n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ss1 n ASP 3 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ss1 n ASN 4 N 0.00 0.00 -1.33 1.67 2.85 -1.20 -3.27 115.26 113.99 1ss1 n ASN 4 Ca 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 1ss1 n ASN 4 Cb 0.00 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.09 1ss1 n ASN 4 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ss1 n LYS 5 N 14.00 0.60 -2.02 1.20 4.76 -1.26 -4.98 118.16 130.46 1ss1 n LYS 5 Ca 0.00 -2.48 -0.41 0.00 -2.87 0.00 0.00 58.31 52.55 1ss1 n LYS 5 Cb 0.00 -0.57 -0.02 0.00 -1.84 0.00 0.00 35.03 32.60 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ss1 n PHE 6 N -0.03 3.61 0.00 2.13 3.01 -1.20 -4.90 117.46 120.07 1ss1 n PHE 6 Ca 0.10 -2.54 0.00 0.00 1.01 0.00 0.00 57.45 56.03 1ss1 n PHE 6 Cb 1.00 -2.48 0.00 0.00 -0.01 0.00 0.00 39.48 38.00 1ss1 n PHE 6 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ss1 n ASN 7 N 8.38 0.00 0.22 4.37 2.85 -1.26 -2.98 115.26 126.84 1ss1 n ASN 7 Ca 0.49 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.81 1ss1 n ASN 7 Cb 0.43 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.37 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1ss1 h LYS 8 N 0.00 -0.67 0.09 1.20 1.57 -1.99 -0.11 116.57 116.66 1ss1 h LYS 8 Ca 0.00 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1ss1 h LYS 8 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1ss1 h LYS 8 CO 0.00 -0.45 -0.04 0.93 -0.57 0.00 0.00 179.45 179.32 1ss1 h GLU 9 N -0.70 -0.12 0.25 3.15 4.39 -1.98 -2.76 114.58 116.82 1ss1 h GLU 9 Ca -0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1ss1 h GLU 9 Cb 0.63 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1ss1 h GLU 9 CO -0.05 0.03 -0.12 1.96 -1.16 0.00 0.00 179.01 179.67 1ss1 h GLN 10 N -0.25 -0.33 -0.68 2.33 1.08 -1.81 -2.96 115.11 112.50 1ss1 h GLN 10 Ca -0.01 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.33 1ss1 h GLN 10 Cb 0.20 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 1ss1 h GLN 10 CO 0.02 -0.17 0.45 0.37 -0.95 0.00 0.00 178.83 178.56 1ss1 h GLN 11 N -0.41 0.42 -0.97 1.46 4.15 -0.90 -0.71 115.11 118.14 1ss1 h GLN 11 Ca -0.03 -0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.54 1ss1 h GLN 11 Cb 0.31 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 27.80 1ss1 h GLN 11 CO 0.06 0.28 0.57 -0.97 -1.93 0.00 0.00 178.83 176.84 1ss1 h ASN 12 N 0.43 0.73 -0.53 -0.69 -1.24 -1.31 0.68 115.58 113.65 1ss1 h ASN 12 Ca 0.32 0.10 0.08 0.00 0.71 0.00 0.00 56.30 57.51 1ss1 h ASN 12 Cb 0.67 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.63 1ss1 h ASN 12 CO -0.10 0.26 0.18 0.00 -1.29 0.00 0.00 177.43 176.48 1ss1 h ALA 13 N 1.63 0.66 0.23 1.57 0.00 -1.21 -1.53 119.26 120.61 1ss1 h ALA 13 Ca 0.56 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.55 1ss1 h ALA 13 Cb 0.85 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1ss1 h ALA 13 CO -0.38 -0.22 -0.35 0.35 0.00 0.00 0.00 179.25 178.64 1ss1 h PHE 14 N 0.35 -0.96 0.63 0.00 3.57 -0.96 0.40 116.94 119.97 1ss1 h PHE 14 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1ss1 h PHE 14 Cb 0.31 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1ss1 h PHE 14 CO -0.18 -0.47 -0.35 -1.49 -2.23 0.00 0.00 178.31 173.59 1ss1 h TRP 15 N -0.65 -0.91 -0.32 0.41 4.06 -1.43 0.39 115.95 117.50 1ss1 h TRP 15 Ca 0.00 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.03 1ss1 h TRP 15 Cb 0.63 0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1ss1 h TRP 15 CO -0.26 -0.54 0.30 0.93 -3.56 0.00 0.00 178.44 175.31 1ss1 h GLU 16 N -0.91 0.00 0.01 0.49 4.39 -1.22 1.10 114.58 118.44 1ss1 h GLU 16 Ca -0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1ss1 h GLU 16 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1ss1 h GLU 16 CO 0.11 0.00 -0.18 0.82 -1.16 0.00 0.00 179.01 178.60 1ss1 h ILE 17 N 0.00 1.61 0.00 3.13 5.03 0.51 -2.19 117.51 125.60 1ss1 h ILE 17 Ca 0.15 -2.03 -0.06 0.00 -0.12 0.00 0.00 64.86 62.81 1ss1 h ILE 17 Cb 0.75 2.93 -0.01 0.00 -3.03 0.00 0.00 36.82 37.47 1ss1 h ILE 17 CO -0.00 0.54 -0.27 -0.07 -0.68 0.00 0.00 178.15 177.67 1ss1 h LEU 18 N -0.65 0.00 0.30 1.44 4.07 0.19 -3.19 115.31 117.47 1ss1 h LEU 18 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1ss1 h LEU 18 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1ss1 h LEU 18 CO 0.03 0.27 -0.14 -0.74 -1.08 0.00 0.00 178.44 176.78 1ss1 h HIS 19 N 0.00 -0.37 -3.32 1.13 2.76 0.11 -3.46 115.15 111.99 1ss1 h HIS 19 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1ss1 h HIS 19 Cb 0.58 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1ss1 h HIS 19 CO 0.00 -0.15 0.00 1.28 -1.30 0.00 0.00 177.93 177.76 1ss1 n LEU 20 N -5.04 0.00 -4.55 0.26 4.77 -0.82 -4.61 117.00 107.00 1ss1 n LEU 20 Ca -0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1ss1 n LEU 20 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1ss1 n LEU 20 CO 0.16 0.00 1.88 -2.84 -1.33 0.00 0.00 177.39 175.26 1ss1 s PRO 21 N -1.89 2.12 0.00 3.23 0.02 -1.26 -1.19 135.00 136.03 1ss1 s PRO 21 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.20 1ss1 s PRO 21 Cb 0.00 -4.59 0.00 0.00 0.02 0.00 0.00 34.50 29.93 1ss1 s PRO 21 CO 0.00 -3.33 0.00 0.09 -0.33 0.00 0.00 177.00 173.43 1ss1 n ASN 22 N 15.76 0.00 -4.82 2.53 4.13 -1.26 -4.49 115.26 127.11 1ss1 n ASN 22 Ca 0.36 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.26 1ss1 n ASN 22 Cb 0.53 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ss1 s LEU 23 N 0.00 4.32 -0.24 3.41 2.96 -0.33 -4.65 118.68 124.14 1ss1 s LEU 23 Ca 0.00 1.34 -0.35 0.00 -0.22 0.00 0.00 54.13 54.90 1ss1 s LEU 23 Cb 0.00 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 43.02 1ss1 s LEU 23 CO 0.00 0.03 2.02 -3.20 -1.32 0.00 0.00 176.35 173.88 1ss1 n ASN 24 N 0.66 2.70 0.30 3.68 5.15 -1.26 -4.73 115.26 121.75 1ss1 n ASN 24 Ca -0.02 0.68 0.19 0.00 -0.60 0.00 0.00 54.58 54.82 1ss1 n ASN 24 Cb 0.51 -1.30 0.98 0.00 -0.53 0.00 0.00 39.78 39.44 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1ss1 h GLU 25 N 10.77 0.00 0.00 1.20 4.81 -1.92 1.60 114.58 131.04 1ss1 h GLU 25 Ca -0.38 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1ss1 h GLU 25 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1ss1 h GLU 25 CO 0.98 0.00 -0.38 1.49 -0.73 0.00 0.00 179.01 180.37 1ss1 h GLU 26 N 0.00 0.00 -0.00 1.92 4.81 -2.00 0.13 114.58 119.44 1ss1 h GLU 26 Ca 0.03 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 1ss1 h GLU 26 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ss1 h GLU 26 CO -0.00 0.38 -0.93 1.96 -0.73 0.00 0.00 179.01 179.69 1ss1 h GLN 27 N 0.00 0.38 -0.06 1.92 1.08 0.19 -2.16 115.11 116.46 1ss1 h GLN 27 Ca -0.00 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.73 1ss1 h GLN 27 Cb 0.78 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1ss1 h GLN 27 CO 0.05 1.08 -0.26 0.00 -0.95 0.00 0.00 178.83 178.75 1ss1 h ARG 28 N 0.21 0.10 -0.00 1.46 3.08 0.33 -1.02 114.38 118.54 1ss1 h ARG 28 Ca -0.07 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1ss1 h ARG 28 Cb 1.56 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1ss1 h ARG 28 CO 0.16 0.36 -0.15 -0.97 -1.07 0.00 0.00 179.97 178.29 1ss1 h ASN 29 N 0.09 0.14 -0.12 7.04 -0.00 -0.67 -2.74 115.58 119.32 1ss1 h ASN 29 Ca 0.01 -0.78 0.03 0.00 -0.00 0.00 0.00 56.30 55.56 1ss1 h ASN 29 Cb 0.51 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 1ss1 h ASN 29 CO 0.04 0.90 0.09 1.23 -0.00 0.00 0.00 177.43 179.68 1ss1 h GLY 30 N -0.61 0.03 0.95 1.57 0.00 -1.23 -0.70 103.07 103.08 1ss1 h GLY 30 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1ss1 h GLY 30 CO 0.03 0.01 -0.35 0.74 0.00 0.00 0.00 176.54 176.97 1ss1 h PHE 31 N 0.03 0.81 -0.17 5.60 0.04 -1.18 -1.41 116.94 120.65 1ss1 h PHE 31 Ca 0.06 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1ss1 h PHE 31 Cb 0.19 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1ss1 h PHE 31 CO -0.00 1.02 -0.05 0.82 -0.60 0.00 0.00 178.31 179.49 1ss1 h ILE 32 N 0.36 1.30 -0.06 -0.55 2.04 -1.05 -1.49 117.51 118.05 1ss1 h ILE 32 Ca 0.02 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1ss1 h ILE 32 Cb 0.93 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1ss1 h ILE 32 CO 0.08 0.31 0.02 1.56 0.00 0.00 0.00 178.15 180.12 1ss1 h GLN 33 N 0.03 0.05 -0.77 2.37 4.20 -1.20 2.07 115.11 121.86 1ss1 h GLN 33 Ca 0.04 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1ss1 h GLN 33 Cb 0.50 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1ss1 h GLN 33 CO 0.02 0.03 0.26 1.03 -0.67 0.00 0.00 178.83 179.50 1ss1 h SER 34 N 0.05 1.10 0.80 1.46 0.87 -1.28 -1.75 113.55 114.79 1ss1 h SER 34 Ca 0.03 -0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.22 1ss1 h SER 34 Cb 0.02 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1ss1 h SER 34 CO -0.03 1.00 -0.81 0.25 -0.53 0.00 0.00 176.83 176.71 1ss1 h LEU 35 N 1.13 0.00 -0.35 2.23 5.85 -1.02 -3.04 115.31 120.11 1ss1 h LEU 35 Ca 0.25 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ss1 h LEU 35 Cb 0.28 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ss1 h LEU 35 CO -0.01 0.81 0.04 0.11 -0.34 0.00 0.00 178.44 179.04 1ss1 h LYS 36 N 0.00 0.60 0.00 1.25 1.79 0.40 -3.12 116.57 117.49 1ss1 h LYS 36 Ca -0.01 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1ss1 h LYS 36 Cb 1.43 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1ss1 h LYS 36 CO 0.11 0.69 -0.44 -0.25 -1.08 0.00 0.00 179.45 178.47 1ss1 n ASP 37 N -4.55 0.57 -3.62 0.86 8.00 -0.72 -4.67 116.55 112.42 1ss1 n ASP 37 Ca -0.02 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 1ss1 n ASP 37 Cb 0.24 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.18 1ss1 n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ss1 s ASP 38 N -3.76 3.68 0.48 -2.24 2.15 -1.15 -4.98 116.67 110.85 1ss1 s ASP 38 Ca 0.09 -1.39 0.26 0.00 0.43 0.00 0.00 52.55 51.94 1ss1 s ASP 38 Cb 0.15 -0.56 1.15 0.00 -0.30 0.00 0.00 42.92 43.36 1ss1 s ASP 38 CO 0.68 -0.42 1.92 1.55 -0.17 0.00 0.00 175.17 178.73 1ss1 h PRO 39 N 8.28 0.00 0.00 4.34 0.13 -1.83 -2.38 132.00 140.53 1ss1 h PRO 39 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1ss1 h PRO 39 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ss1 h PRO 39 CO 0.45 0.17 -0.13 1.03 -0.23 0.00 0.00 178.00 179.29 1ss1 h SER 40 N 0.00 0.00 0.85 1.44 0.87 -1.94 -1.82 113.55 112.95 1ss1 h SER 40 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ss1 h SER 40 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ss1 h SER 40 CO 0.02 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.45 1ss1 n GLN 41 N -3.45 0.08 -0.17 2.24 6.02 -0.90 -4.22 117.38 116.99 1ss1 n GLN 41 Ca -0.01 0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 1ss1 n GLN 41 Cb 0.30 -1.62 0.01 0.00 1.02 0.00 0.00 30.24 29.94 1ss1 n GLN 41 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ss1 n SER 42 N -1.76 -0.31 -0.11 1.08 3.41 -0.69 0.64 113.62 115.88 1ss1 n SER 42 Ca 0.05 0.75 -0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1ss1 n SER 42 Cb 0.27 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss1 h ALA 43 N 0.52 0.45 -0.50 7.33 0.00 -1.85 0.29 119.26 125.49 1ss1 h ALA 43 Ca 0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1ss1 h ALA 43 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ss1 h ALA 43 CO -0.42 0.33 -0.02 -0.97 0.00 0.00 0.00 179.25 178.17 1ss1 h ASN 44 N 0.42 0.83 0.02 0.00 -0.73 -0.08 -1.61 115.58 114.44 1ss1 h ASN 44 Ca 0.08 -0.22 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 1ss1 h ASN 44 Cb 0.64 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1ss1 h ASN 44 CO 0.04 0.90 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.92 1ss1 h LEU 45 N 0.79 -0.03 0.40 0.34 -0.00 -0.32 -2.84 115.31 113.65 1ss1 h LEU 45 Ca 0.15 -0.72 -0.01 0.00 -0.00 0.00 0.00 57.88 57.31 1ss1 h LEU 45 Cb 0.50 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 1ss1 h LEU 45 CO 0.02 0.78 -0.40 0.25 -0.00 0.00 0.00 178.44 179.09 1ss1 h LEU 46 N -0.90 -1.09 -1.33 1.67 5.85 -0.46 0.23 115.31 119.28 1ss1 h LEU 46 Ca -0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ss1 h LEU 46 Cb 0.74 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1ss1 h LEU 46 CO 0.01 -0.55 0.48 0.00 -0.34 0.00 0.00 178.44 178.03 1ss1 h ALA 47 N -0.45 1.59 -0.16 1.25 0.00 -1.46 0.14 119.26 120.16 1ss1 h ALA 47 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ss1 h ALA 47 Cb 0.73 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ss1 h ALA 47 CO -0.07 0.34 -0.24 0.93 0.00 0.00 0.00 179.25 180.21 1ss1 h GLU 48 N 0.87 0.44 -0.27 0.00 3.07 -1.21 -1.86 114.58 115.64 1ss1 h GLU 48 Ca 0.29 -0.27 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 1ss1 h GLU 48 Cb 0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1ss1 h GLU 48 CO -0.08 0.86 -0.51 0.00 -1.40 0.00 0.00 179.01 177.88 1ss1 h ALA 49 N 0.58 0.60 0.45 3.43 0.00 -0.27 -1.71 119.26 122.35 1ss1 h ALA 49 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1ss1 h ALA 49 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ss1 h ALA 49 CO 0.06 0.68 -0.22 -0.22 0.00 0.00 0.00 179.25 179.55 1ss1 h LYS 50 N 0.58 -0.59 -0.49 0.00 1.63 -0.78 -1.54 116.57 115.38 1ss1 h LYS 50 Ca 0.02 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1ss1 h LYS 50 Cb 1.08 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 1ss1 h LYS 50 CO 0.11 -0.29 0.31 1.57 -3.45 0.00 0.00 179.45 177.70 1ss1 h LYS 51 N -0.88 0.61 -0.43 1.90 5.09 -1.41 -1.21 116.57 120.24 1ss1 h LYS 51 Ca -0.06 -0.04 0.07 0.00 0.09 0.00 0.00 60.65 60.71 1ss1 h LYS 51 Cb 0.57 -0.14 -0.06 0.00 0.10 0.00 0.00 32.23 32.71 1ss1 h LYS 51 CO 0.10 0.40 0.08 -0.07 -2.09 0.00 0.00 179.45 177.87 1ss1 h LEU 52 N 0.62 -0.00 -1.45 7.07 3.38 -1.32 0.25 115.31 123.86 1ss1 h LEU 52 Ca 0.19 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1ss1 h LEU 52 Cb -0.03 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ss1 h LEU 52 CO -0.06 0.03 0.39 -1.13 0.09 0.00 0.00 178.44 177.76 1ss1 h ASN 53 N 0.21 0.63 -0.40 -0.43 -0.73 -0.78 0.58 115.58 114.66 1ss1 h ASN 53 Ca 0.21 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.37 1ss1 h ASN 53 Cb 0.26 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1ss1 h ASN 53 CO -0.28 0.45 0.26 -0.78 -0.37 0.00 0.00 177.43 176.71 1ss1 h ASP 54 N 0.74 0.45 1.40 1.15 3.58 0.24 0.50 116.42 124.48 1ss1 h ASP 54 Ca 0.23 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1ss1 h ASP 54 Cb -0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1ss1 h ASP 54 CO -0.06 0.32 -0.62 0.00 -2.88 0.00 0.00 179.24 176.00 1ss1 h ALA 55 N 1.15 0.73 -0.00 -0.78 0.00 -0.71 -3.29 119.26 116.36 1ss1 h ALA 55 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ss1 h ALA 55 Cb -0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ss1 h ALA 55 CO -0.04 0.38 -0.45 1.04 0.00 0.00 0.00 179.25 180.18 1ss1 n GLN 56 N -3.02 0.29 -3.67 0.00 6.02 0.20 -4.61 117.38 112.58 1ss1 n GLN 56 Ca 0.00 -0.18 -0.29 0.00 -0.01 0.00 0.00 57.00 56.53 1ss1 n GLN 56 Cb 0.66 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.30 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ss1 s ALA 57 N -2.83 2.35 0.12 -1.58 0.00 0.17 -4.44 121.76 115.55 1ss1 s ALA 57 Ca 0.15 -2.85 -0.10 0.00 0.00 0.00 0.00 51.96 49.17 1ss1 s ALA 57 Cb 0.18 -1.88 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 1ss1 s ALA 57 CO 0.65 -2.05 1.32 -1.00 0.00 0.00 0.00 175.76 174.68 1ss1 h PRO 58 N 6.15 0.67 0.00 0.00 0.13 -1.82 -3.40 132.00 133.73 1ss1 h PRO 58 Ca 0.10 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ss1 h PRO 58 Cb 0.88 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ss1 h PRO 58 CO 0.51 1.19 -0.91 1.17 -0.23 0.00 0.00 178.00 179.73 1ss1 n LYS 59 N -3.89 0.51 -0.58 0.86 3.00 -1.26 -5.17 118.16 111.62 1ss1 n LYS 59 Ca -0.07 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1ss1 n LYS 59 Cb 0.76 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40