#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 h VAL 2 N 0.00 0.00 -3.52 1.08 2.07 -2.03 -3.30 116.25 110.55 1s72 h VAL 2 Ca 0.00 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 1s72 h VAL 2 Cb 0.00 0.36 -0.39 0.00 -1.52 0.00 0.00 31.29 29.74 1s72 h VAL 2 CO 0.00 0.00 -0.76 -0.22 0.02 0.00 0.00 177.57 176.61 1s72 s LEU 3 N -5.00 3.09 0.48 2.57 2.96 -1.26 -5.13 118.68 116.40 1s72 s LEU 3 Ca -0.02 -1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 52.28 1s72 s LEU 3 Cb 0.05 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1s72 s LEU 3 CO 0.15 -0.32 0.77 -1.00 -1.32 0.00 0.00 176.35 174.62 1s72 s HIS 4 N 1.32 3.46 0.24 5.38 3.76 -1.25 -4.99 115.29 123.21 1s72 s HIS 4 Ca 0.03 0.67 -0.07 0.00 -0.15 0.00 0.00 55.06 55.54 1s72 s HIS 4 Cb -0.18 -2.34 0.25 0.00 1.11 0.00 0.00 32.58 31.42 1s72 s HIS 4 CO -0.12 -0.35 1.89 0.28 -0.85 0.00 0.00 174.74 175.60 1s72 h VAL 5 N 0.22 1.18 -0.32 -0.90 2.07 -2.00 -2.40 116.25 114.11 1s72 h VAL 5 Ca -0.47 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1s72 h VAL 5 Cb 1.22 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1s72 h VAL 5 CO 0.61 0.21 0.14 1.56 0.02 0.00 0.00 177.57 180.11 1s72 h GLN 6 N 1.16 0.28 -0.04 1.57 4.20 -1.99 -1.55 115.11 118.74 1s72 h GLN 6 Ca 0.35 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1s72 h GLN 6 Cb -0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1s72 h GLN 6 CO -0.10 0.19 0.01 0.93 -0.67 0.00 0.00 178.83 179.19 1s72 h GLU 7 N 0.29 0.06 -0.04 1.46 5.08 -1.87 0.25 114.58 119.81 1s72 h GLU 7 Ca 0.14 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 1s72 h GLU 7 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s72 h GLU 7 CO -0.12 0.06 -0.87 0.82 -1.00 0.00 0.00 179.01 177.90 1s72 h ILE 8 N 0.06 1.36 0.00 3.13 2.04 -0.86 -3.13 117.51 120.11 1s72 h ILE 8 Ca 0.02 -2.28 -0.08 0.00 1.00 0.00 0.00 64.86 63.52 1s72 h ILE 8 Cb 0.03 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1s72 h ILE 8 CO -0.00 0.69 -0.38 0.03 0.00 0.00 0.00 178.15 178.49 1s72 h ARG 9 N 0.30 0.00 -0.04 2.37 3.08 -0.37 -2.85 114.38 116.86 1s72 h ARG 9 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s72 h ARG 9 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1s72 h ARG 9 CO 0.16 0.38 0.00 -0.25 -1.07 0.00 0.00 179.97 179.19 1s72 n ASP 10 N -3.34 0.32 -4.93 7.04 8.00 -0.01 -4.80 116.55 118.83 1s72 n ASP 10 Ca 0.01 -1.65 -0.27 0.00 0.71 0.00 0.00 54.79 53.59 1s72 n ASP 10 Cb 0.59 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 1s72 n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1s72 s MET 11 N -1.94 3.50 0.46 -1.24 -1.94 -1.08 -5.05 119.30 112.00 1s72 s MET 11 Ca 0.20 -0.40 -0.09 0.00 -1.71 0.00 0.00 55.69 53.70 1s72 s MET 11 Cb 0.10 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 1s72 s MET 11 CO 0.16 0.41 0.80 -0.08 -0.01 0.00 0.00 175.02 176.30 1s72 s THR 12 N -1.87 4.82 0.40 2.05 -1.32 -1.26 -4.87 115.64 113.59 1s72 s THR 12 Ca 0.38 0.49 0.21 0.00 -1.21 0.00 0.00 61.69 61.55 1s72 s THR 12 Cb -0.11 -3.80 0.40 0.00 -1.51 0.00 0.00 72.50 67.49 1s72 s THR 12 CO 0.29 -0.71 1.71 -0.65 -2.21 0.00 0.00 174.62 173.05 1s72 h PRO 13 N 0.69 0.30 0.00 7.08 0.11 -1.97 0.34 132.00 138.55 1s72 h PRO 13 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1s72 h PRO 13 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1s72 h PRO 13 CO 0.63 0.20 -0.51 0.00 -0.21 0.00 0.00 178.00 178.11 1s72 h ALA 14 N 1.66 0.86 0.00 -0.75 0.00 -1.92 -2.95 119.26 116.17 1s72 h ALA 14 Ca 0.68 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1s72 h ALA 14 Cb 1.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1s72 h ALA 14 CO -0.39 0.63 -0.86 0.93 0.00 0.00 0.00 179.25 179.57 1s72 h GLU 15 N 0.00 0.00 -0.25 0.00 5.08 -0.71 -1.79 114.58 116.91 1s72 h GLU 15 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1s72 h GLU 15 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1s72 h GLU 15 CO 0.07 0.86 -0.19 0.00 -1.00 0.00 0.00 179.01 178.74 1s72 h ARG 16 N 0.00 0.57 -0.62 2.33 3.08 -1.32 0.30 114.38 118.71 1s72 h ARG 16 Ca -0.01 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 1s72 h ARG 16 Cb 1.55 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 1s72 h ARG 16 CO 0.11 0.86 0.15 0.93 -1.07 0.00 0.00 179.97 180.95 1s72 h GLU 17 N 0.29 1.00 -0.49 0.04 5.08 -1.52 1.18 114.58 120.16 1s72 h GLU 17 Ca 0.05 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1s72 h GLU 17 Cb 0.72 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1s72 h GLU 17 CO 0.05 0.91 -0.14 0.00 -1.00 0.00 0.00 179.01 178.82 1s72 h ALA 18 N 1.05 0.81 -0.20 3.43 0.00 -1.22 -0.85 119.26 122.27 1s72 h ALA 18 Ca 0.20 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1s72 h ALA 18 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s72 h ALA 18 CO 0.00 0.66 -0.47 1.49 0.00 0.00 0.00 179.25 180.93 1s72 h GLU 19 N 0.84 0.53 0.86 0.00 4.57 0.10 -2.38 114.58 119.08 1s72 h GLU 19 Ca 0.13 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1s72 h GLU 19 Cb 0.69 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1s72 h GLU 19 CO 0.05 0.88 -0.41 1.25 -1.18 0.00 0.00 179.01 179.60 1s72 h LEU 20 N 0.42 -0.97 -2.43 1.64 5.85 0.18 -0.95 115.31 119.04 1s72 h LEU 20 Ca 0.03 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1s72 h LEU 20 Cb 0.98 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1s72 h LEU 20 CO 0.09 -0.65 0.14 0.44 -0.34 0.00 0.00 178.44 178.12 1s72 h ASP 21 N -1.24 0.00 -0.02 1.25 3.32 -1.19 -0.98 116.42 117.56 1s72 h ASP 21 Ca -0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1s72 h ASP 21 Cb 0.89 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.44 1s72 h ASP 21 CO 0.19 0.00 -0.37 0.44 -1.72 0.00 0.00 179.24 177.78 1s72 h ASP 22 N 0.00 0.36 -0.58 6.45 3.32 -1.00 -2.86 116.42 122.11 1s72 h ASP 22 Ca 0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 57.03 56.31 1s72 h ASP 22 Cb 0.32 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1s72 h ASP 22 CO -0.00 1.05 0.21 -0.07 -1.72 0.00 0.00 179.24 178.70 1s72 h LEU 23 N -0.29 0.82 -0.71 1.55 3.38 0.05 -1.96 115.31 118.14 1s72 h LEU 23 Ca -0.04 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1s72 h LEU 23 Cb 1.08 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1s72 h LEU 23 CO 0.07 0.78 0.36 0.11 0.09 0.00 0.00 178.44 179.86 1s72 h LYS 24 N 0.80 0.60 -0.45 1.13 1.57 -1.30 0.38 116.57 119.31 1s72 h LYS 24 Ca 0.19 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1s72 h LYS 24 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1s72 h LYS 24 CO -0.01 0.40 0.20 1.15 -0.57 0.00 0.00 179.45 180.62 1s72 h THR 25 N 0.62 1.19 -0.58 -0.16 2.02 -1.22 0.23 112.91 115.01 1s72 h THR 25 Ca 0.35 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1s72 h THR 25 Cb 0.35 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1s72 h THR 25 CO -0.26 0.21 0.36 -0.08 0.37 0.00 0.00 175.52 176.12 1s72 h GLU 26 N 0.58 0.70 0.41 6.66 4.81 -0.57 -0.90 114.58 126.27 1s72 h GLU 26 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1s72 h GLU 26 Cb 0.14 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1s72 h GLU 26 CO -0.02 0.46 -0.31 1.25 -0.73 0.00 0.00 179.01 179.67 1s72 h LEU 27 N 0.72 -0.80 -1.13 1.64 5.85 -0.44 -0.56 115.31 120.59 1s72 h LEU 27 Ca 0.23 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.16 1s72 h LEU 27 Cb -0.01 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1s72 h LEU 27 CO -0.09 -0.46 0.61 0.25 -0.34 0.00 0.00 178.44 178.41 1s72 h LEU 28 N -0.71 0.78 -0.63 2.25 5.85 -0.23 0.47 115.31 123.08 1s72 h LEU 28 Ca -0.04 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1s72 h LEU 28 Cb 0.61 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1s72 h LEU 28 CO 0.00 0.37 -0.43 0.78 -0.34 0.00 0.00 178.44 178.82 1s72 h ASN 29 N 0.81 0.00 -0.18 1.25 2.35 -0.74 -1.64 115.58 117.42 1s72 h ASN 29 Ca 0.50 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.05 1s72 h ASN 29 Cb 0.70 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1s72 h ASN 29 CO -0.27 0.43 -0.66 0.00 -1.65 0.00 0.00 177.43 175.28 1s72 h ALA 30 N 1.57 0.33 -0.17 -0.83 0.00 0.64 -1.56 119.26 119.23 1s72 h ALA 30 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1s72 h ALA 30 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1s72 h ALA 30 CO 0.06 0.62 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 1s72 h ARG 31 N 0.50 0.33 -0.19 0.00 3.08 -0.96 0.27 114.38 117.41 1s72 h ARG 31 Ca -0.03 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1s72 h ARG 31 Cb 1.29 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1s72 h ARG 31 CO 0.14 0.58 -0.16 0.00 -1.07 0.00 0.00 179.97 179.47 1s72 h ALA 32 N 1.42 0.27 -0.37 0.04 0.00 -1.21 0.37 119.26 119.78 1s72 h ALA 32 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1s72 h ALA 32 Cb 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1s72 h ALA 32 CO 0.05 0.16 0.15 0.28 0.00 0.00 0.00 179.25 179.89 1s72 h VAL 33 N 0.11 1.15 -0.10 0.00 2.07 -1.01 -1.52 116.25 116.95 1s72 h VAL 33 Ca 0.03 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1s72 h VAL 33 Cb 0.68 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1s72 h VAL 33 CO 0.04 0.18 -0.38 -0.61 0.02 0.00 0.00 177.57 176.81 1s72 h GLN 34 N 0.52 0.43 0.00 1.57 4.15 -0.66 0.16 115.11 121.28 1s72 h GLN 34 Ca 0.13 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1s72 h GLN 34 Cb 0.11 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1s72 h GLN 34 CO -0.01 0.96 -0.00 0.00 -1.93 0.00 0.00 178.83 177.85 1s72 h ALA 35 N 0.47 1.06 -0.56 3.38 0.00 0.26 0.52 119.26 124.40 1s72 h ALA 35 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s72 h ALA 35 Cb 1.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1s72 h ALA 35 CO 0.08 0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.37 1s72 n ALA 36 N -2.11 3.90 -1.28 0.00 0.00 -0.62 -4.89 120.51 115.50 1s72 n ALA 36 Ca -0.03 -1.84 -0.11 0.00 0.00 0.00 0.00 53.44 51.47 1s72 n ALA 36 Cb 0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1s72 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 37 N 0.48 1.02 3.69 0.00 0.00 0.17 -4.88 105.19 105.67 1s72 n GLY 37 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1s72 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s72 s GLY 38 N -2.30 1.44 0.11 -0.02 0.00 0.54 -4.91 107.32 102.18 1s72 s GLY 38 Ca 0.00 1.34 0.25 0.00 0.00 0.00 0.00 44.72 46.30 1s72 s GLY 38 CO 0.00 3.03 1.40 0.00 0.00 0.00 0.00 173.10 177.53 1s72 n ALA 39 N 5.66 2.89 0.13 3.20 0.00 -1.26 -4.28 120.51 126.85 1s72 n ALA 39 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1s72 n ALA 39 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1s72 n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s72 n PRO 40 N -2.05 0.13 -0.91 0.00 -0.04 -1.26 -4.76 135.00 126.11 1s72 n PRO 40 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1s72 n PRO 40 Cb 0.43 -1.25 0.24 0.00 -0.04 0.00 0.00 33.50 32.88 1s72 n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s72 s GLU 41 N -0.07 -1.28 -0.43 0.54 2.02 -1.26 -5.04 118.70 113.19 1s72 s GLU 41 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 54.97 55.20 1s72 s GLU 41 Cb 0.00 -1.57 0.31 0.00 0.10 0.00 0.00 34.13 32.97 1s72 s GLU 41 CO 0.00 -3.79 1.17 0.09 0.02 0.00 0.00 175.26 172.75 1s72 n ASN 42 N -4.86 -2.09 0.00 -0.19 3.02 -1.26 -5.06 115.26 104.82 1s72 n ASN 42 Ca 0.11 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1s72 n ASN 42 Cb 0.59 1.71 0.00 0.00 -0.61 0.00 0.00 39.78 41.47 1s72 n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1s72 n PRO 43 N 0.52 0.00 0.25 3.52 -0.02 -1.26 -0.16 135.00 137.85 1s72 n PRO 43 Ca 0.03 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.66 1s72 n PRO 43 Cb 0.71 0.00 0.83 0.00 -0.02 0.00 0.00 33.50 35.02 1s72 n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1s72 h GLY 44 N 0.00 0.00 0.34 -1.23 0.00 -2.00 -3.11 103.07 97.07 1s72 h GLY 44 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1s72 h GLY 44 CO 0.00 0.00 -1.27 3.21 0.00 0.00 0.00 176.54 178.48 1s72 h ARG 45 N 0.00 0.15 0.00 4.80 3.08 -0.98 -2.63 114.38 118.80 1s72 h ARG 45 Ca 0.04 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1s72 h ARG 45 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1s72 h ARG 45 CO -0.00 1.12 0.17 0.97 -1.07 0.00 0.00 179.97 181.16 1s72 h ILE 46 N -0.55 0.00 0.10 2.04 2.10 -1.72 1.16 117.51 120.64 1s72 h ILE 46 Ca -0.30 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.31 1s72 h ILE 46 Cb 1.57 0.79 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 1s72 h ILE 46 CO -0.03 0.00 -1.84 0.50 -1.08 0.00 0.00 178.15 175.70 1s72 h LYS 47 N 0.00 0.21 -0.29 2.19 3.64 -1.64 -3.31 116.57 117.36 1s72 h LYS 47 Ca 0.00 -0.36 -0.16 0.00 -1.27 0.00 0.00 60.65 58.87 1s72 h LYS 47 Cb 0.35 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1s72 h LYS 47 CO 0.00 1.03 -0.44 0.93 -2.27 0.00 0.00 179.45 178.70 1s72 h GLU 48 N 0.06 0.74 -0.83 1.90 4.39 0.39 -2.85 114.58 118.39 1s72 h GLU 48 Ca -0.36 -0.41 0.09 0.00 0.34 0.00 0.00 59.36 59.02 1s72 h GLU 48 Cb 2.03 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.65 1s72 h GLU 48 CO 0.10 1.04 0.54 -0.07 -1.16 0.00 0.00 179.01 179.46 1s72 h LEU 49 N 0.60 0.72 -0.20 1.33 3.38 0.93 0.24 115.31 122.31 1s72 h LEU 49 Ca 0.04 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1s72 h LEU 49 Cb 1.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1s72 h LEU 49 CO 0.10 0.43 -0.18 0.03 0.09 0.00 0.00 178.44 178.91 1s72 h ARG 50 N 0.80 0.48 -0.48 1.13 3.08 -1.60 -2.18 114.38 115.61 1s72 h ARG 50 Ca 0.38 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1s72 h ARG 50 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1s72 h ARG 50 CO -0.15 0.82 -0.21 0.87 -1.07 0.00 0.00 179.97 180.23 1s72 h LYS 51 N 0.16 0.98 -0.75 0.04 1.57 -1.16 -1.44 116.57 115.96 1s72 h LYS 51 Ca 0.04 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1s72 h LYS 51 Cb 0.72 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1s72 h LYS 51 CO 0.05 1.09 0.45 0.00 -0.57 0.00 0.00 179.45 180.47 1s72 h ALA 52 N 0.90 0.96 -0.49 3.86 0.00 -0.56 0.55 119.26 124.48 1s72 h ALA 52 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1s72 h ALA 52 Cb 0.78 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1s72 h ALA 52 CO 0.07 0.43 0.04 0.82 0.00 0.00 0.00 179.25 180.61 1s72 h ILE 53 N 1.03 1.24 -0.41 0.00 2.04 -1.16 -1.74 117.51 118.51 1s72 h ILE 53 Ca 0.27 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1s72 h ILE 53 Cb -0.03 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1s72 h ILE 53 CO -0.05 0.34 0.02 0.00 0.00 0.00 0.00 178.15 178.45 1s72 h ALA 54 N 1.29 0.55 -0.07 1.87 0.00 -0.32 -2.08 119.26 120.50 1s72 h ALA 54 Ca 0.15 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1s72 h ALA 54 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1s72 h ALA 54 CO 0.01 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 1s72 h ARG 55 N 0.54 -0.03 -0.34 0.00 3.08 -0.55 0.12 114.38 117.21 1s72 h ARG 55 Ca 0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1s72 h ARG 55 Cb 0.45 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1s72 h ARG 55 CO 0.02 -0.02 0.12 0.82 -1.07 0.00 0.00 179.97 179.84 1s72 h ILE 56 N -0.03 0.91 -0.26 2.04 2.04 -1.26 0.12 117.51 121.06 1s72 h ILE 56 Ca 0.04 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1s72 h ILE 56 Cb 0.09 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1s72 h ILE 56 CO -0.09 0.05 -0.02 0.11 0.00 0.00 0.00 178.15 178.20 1s72 h LYS 57 N 0.27 0.40 -0.17 2.37 1.57 -1.02 0.12 116.57 120.10 1s72 h LYS 57 Ca 0.15 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1s72 h LYS 57 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1s72 h LYS 57 CO -0.15 0.44 -0.01 1.15 -0.57 0.00 0.00 179.45 180.31 1s72 h THR 58 N 0.39 1.26 -0.39 -0.16 2.02 0.37 -2.44 112.91 113.96 1s72 h THR 58 Ca 0.09 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1s72 h THR 58 Cb 0.29 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1s72 h THR 58 CO 0.01 0.27 0.10 0.40 0.37 0.00 0.00 175.52 176.66 1s72 h ILE 59 N 0.05 1.23 -0.78 3.11 1.08 -0.32 -0.92 117.51 120.96 1s72 h ILE 59 Ca 0.05 -0.77 0.15 0.00 -0.39 0.00 0.00 64.86 63.90 1s72 h ILE 59 Cb 0.40 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 1s72 h ILE 59 CO 0.01 0.27 0.52 1.56 -0.69 0.00 0.00 178.15 179.82 1s72 h GLN 60 N 0.48 0.43 -0.06 2.37 4.20 -0.76 0.16 115.11 121.94 1s72 h GLN 60 Ca 0.12 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1s72 h GLN 60 Cb 0.30 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.99 1s72 h GLN 60 CO 0.00 0.28 -0.44 0.78 -0.67 0.00 0.00 178.83 178.79 1s72 h GLY 61 N 0.44 0.45 0.97 3.46 0.00 -0.91 1.37 103.07 108.86 1s72 h GLY 61 Ca 0.39 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1s72 h GLY 61 CO -0.13 0.60 0.24 0.83 0.00 0.00 0.00 176.54 178.08 1s72 h GLU 62 N -0.07 0.72 0.00 4.80 5.08 0.28 -3.01 114.58 122.38 1s72 h GLU 62 Ca -0.04 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1s72 h GLU 62 Cb 1.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1s72 h GLU 62 CO 0.09 0.60 -0.25 0.93 -1.00 0.00 0.00 179.01 179.38 1s72 h GLU 63 N 0.66 0.00 0.00 2.33 4.39 -0.85 -3.46 114.58 117.65 1s72 h GLU 63 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1s72 h GLU 63 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1s72 h GLU 63 CO -0.02 0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.49 1s72 n GLY 64 N 0.44 1.14 0.00 -3.84 0.00 -0.96 -5.09 105.19 96.88 1s72 n GLY 64 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s72 n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54