#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0u n HIS 0 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -3.72 115.22 111.86 1y0u n HIS 0 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y0u n HIS 0 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 1y0u n HIS 0 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1y0u n SER 2 N 1.73 0.00 0.04 4.39 7.64 -1.26 -4.17 113.62 121.99 1y0u n SER 2 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1y0u n SER 2 Cb 0.00 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 63.83 1y0u n SER 2 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1y0u h LEU 3 N 0.00 0.09 -2.08 -3.43 5.85 -2.03 -1.06 115.31 112.65 1y0u h LEU 3 Ca 0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1y0u h LEU 3 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1y0u h LEU 3 CO 0.00 0.05 0.16 -0.33 -0.34 0.00 0.00 178.44 177.98 1y0u h GLU 4 N 0.10 0.00 -0.65 1.25 4.39 -1.93 -0.45 114.58 117.29 1y0u h GLU 4 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1y0u h GLU 4 Cb 0.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1y0u h GLU 4 CO -0.02 0.00 0.33 0.93 -1.16 0.00 0.00 179.01 179.09 1y0u h GLU 5 N 0.00 0.93 -0.41 2.33 4.39 -1.58 0.21 114.58 120.45 1y0u h GLU 5 Ca 0.10 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1y0u h GLU 5 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1y0u h GLU 5 CO -0.00 0.73 -0.08 -1.49 -1.16 0.00 0.00 179.01 177.00 1y0u h TRP 6 N 0.90 0.86 -0.40 4.33 6.55 -1.23 -1.30 115.95 125.67 1y0u h TRP 6 Ca 0.23 -0.18 -0.05 0.00 0.95 0.00 0.00 58.89 59.84 1y0u h TRP 6 Cb 0.09 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 1y0u h TRP 6 CO -0.00 0.89 0.06 0.82 -1.05 0.00 0.00 178.44 179.16 1y0u h ILE 7 N 0.59 1.24 -0.18 1.49 2.04 -1.21 -1.79 117.51 119.69 1y0u h ILE 7 Ca 0.11 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1y0u h ILE 7 Cb 0.60 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1y0u h ILE 7 CO 0.04 0.30 -0.06 0.50 0.00 0.00 0.00 178.15 178.93 1y0u h LYS 8 N 0.51 -0.03 -0.75 2.37 3.64 -0.53 -0.69 116.57 121.09 1y0u h LYS 8 Ca 0.12 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1y0u h LYS 8 Cb 0.38 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1y0u h LYS 8 CO 0.01 -0.02 0.48 0.00 -2.27 0.00 0.00 179.45 177.66 1y0u h ALA 9 N 1.14 0.96 -0.40 5.00 0.00 -1.09 -1.06 119.26 123.82 1y0u h ALA 9 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1y0u h ALA 9 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1y0u h ALA 9 CO -0.20 0.31 -0.04 0.22 0.00 0.00 0.00 179.25 179.54 1y0u h ASP 10 N 0.96 0.73 -0.72 0.00 3.58 -1.09 -1.75 116.42 118.14 1y0u h ASP 10 Ca 0.29 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1y0u h ASP 10 Cb -0.05 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1y0u h ASP 10 CO -0.09 0.89 0.44 -1.28 -2.88 0.00 0.00 179.24 176.32 1y0u h SER 11 N 0.55 0.85 -0.37 2.28 0.87 -0.82 -0.40 113.55 116.51 1y0u h SER 11 Ca 0.11 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1y0u h SER 11 Cb 0.54 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1y0u h SER 11 CO 0.03 0.65 0.04 -0.07 -0.53 0.00 0.00 176.83 176.95 1y0u h LEU 12 N 0.97 0.61 -0.23 2.23 3.38 -1.04 -0.35 115.31 120.88 1y0u h LEU 12 Ca 0.26 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y0u h LEU 12 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1y0u h LEU 12 CO -0.05 0.74 0.14 -0.08 0.09 0.00 0.00 178.44 179.28 1y0u h GLU 13 N 0.46 0.31 -0.18 1.13 4.81 -0.99 -0.89 114.58 119.23 1y0u h GLU 13 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1y0u h GLU 13 Cb 0.40 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1y0u h GLU 13 CO 0.01 0.24 0.06 0.87 -0.73 0.00 0.00 179.01 179.46 1y0u h LYS 14 N 0.29 0.27 -0.90 1.92 6.56 -1.00 -1.95 116.57 121.76 1y0u h LYS 14 Ca 0.08 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 1y0u h LYS 14 Cb 0.01 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.58 1y0u h LYS 14 CO -0.02 0.37 0.49 0.00 -2.06 0.00 0.00 179.45 178.24 1y0u h ALA 15 N 0.89 1.17 -0.24 3.86 0.00 -0.99 0.10 119.26 124.06 1y0u h ALA 15 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1y0u h ALA 15 Cb 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1y0u h ALA 15 CO -0.00 0.66 0.02 0.22 0.00 0.00 0.00 179.25 180.15 1y0u h ASP 16 N 1.26 -0.05 -0.40 0.00 3.58 -1.02 -0.21 116.42 119.58 1y0u h ASP 16 Ca 0.32 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 1y0u h ASP 16 Cb 0.02 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1y0u h ASP 16 CO -0.05 0.01 0.24 -0.08 -2.88 0.00 0.00 179.24 176.48 1y0u h GLU 17 N 0.10 0.55 -0.42 0.28 4.57 -0.59 -1.03 114.58 118.04 1y0u h GLU 17 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1y0u h GLU 17 Cb 0.13 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1y0u h GLU 17 CO -0.17 0.41 0.21 1.88 -1.18 0.00 0.00 179.01 180.16 1y0u h TYR 18 N 0.53 0.60 -0.64 0.92 0.05 -0.62 -1.18 116.97 116.63 1y0u h TYR 18 Ca 0.14 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1y0u h TYR 18 Cb 0.00 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1y0u h TYR 18 CO -0.03 0.48 0.32 0.45 -1.05 0.00 0.00 178.16 178.33 1y0u h HIS 19 N 0.54 0.91 -0.43 4.88 3.86 -0.86 -1.12 115.15 122.94 1y0u h HIS 19 Ca 0.15 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1y0u h HIS 19 Cb 0.10 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1y0u h HIS 19 CO -0.01 0.68 0.22 0.87 0.86 0.00 0.00 177.93 180.54 1y0u h LYS 20 N 0.88 0.43 -0.32 2.45 1.57 -0.88 0.98 116.57 121.68 1y0u h LYS 20 Ca 0.22 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1y0u h LYS 20 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1y0u h LYS 20 CO -0.03 0.28 0.14 0.00 -0.57 0.00 0.00 179.45 179.28 1y0u h ARG 21 N 0.44 0.47 0.23 3.15 3.08 -0.98 0.37 114.38 121.14 1y0u h ARG 21 Ca 0.18 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1y0u h ARG 21 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1y0u h ARG 21 CO -0.12 0.46 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.21 1y0u h TYR 22 N 0.38 -0.28 -0.99 3.04 3.20 -1.05 -1.89 116.97 119.37 1y0u h TYR 22 Ca 0.11 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1y0u h TYR 22 Cb 0.15 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 1y0u h TYR 22 CO -0.01 -0.04 0.64 -0.91 -1.64 0.00 0.00 178.16 176.20 1y0u h ASN 23 N -0.50 1.02 -0.61 -2.11 2.35 -0.74 -0.89 115.58 114.09 1y0u h ASN 23 Ca -0.03 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1y0u h ASN 23 Cb 0.37 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1y0u h ASN 23 CO 0.05 0.65 0.28 0.22 -1.65 0.00 0.00 177.43 176.97 1y0u h TYR 24 N 1.15 0.90 -0.20 1.19 3.20 -0.84 -2.48 116.97 119.89 1y0u h TYR 24 Ca 0.43 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1y0u h TYR 24 Cb 0.18 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1y0u h TYR 24 CO -0.00 0.69 0.09 0.00 -1.64 0.00 0.00 178.16 177.30 1y0u h ALA 25 N 1.11 0.25 0.00 1.82 0.00 -0.37 -3.31 119.26 118.76 1y0u h ALA 25 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y0u h ALA 25 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y0u h ALA 25 CO -0.02 -0.18 -0.59 -0.39 0.00 0.00 0.00 179.25 178.07 1y0u h VAL 26 N 0.18 0.00 -0.75 0.00 -1.51 -1.15 -3.36 116.25 109.66 1y0u h VAL 26 Ca 0.07 -0.67 -0.45 0.00 -1.23 0.00 0.00 66.70 64.42 1y0u h VAL 26 Cb 0.13 1.32 -0.18 0.00 -2.13 0.00 0.00 31.29 30.43 1y0u h VAL 26 CO -0.01 0.00 0.54 0.35 -1.23 0.00 0.00 177.57 177.22 1y0u n THR 27 N -2.38 3.09 -3.67 7.19 -2.24 -0.94 -4.73 114.28 110.60 1y0u n THR 27 Ca 0.03 -2.27 -0.21 0.00 -2.27 0.00 0.00 64.05 59.33 1y0u n THR 27 Cb 0.48 -1.34 -0.18 0.00 -2.10 0.00 0.00 70.33 67.19 1y0u n THR 27 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y0u s ASN 28 N -0.28 1.28 0.38 3.42 3.84 -1.26 -5.05 114.94 117.28 1y0u s ASN 28 Ca 0.44 0.01 0.12 0.00 0.21 0.00 0.00 52.86 53.63 1y0u s ASN 28 Cb 0.33 -0.17 0.77 0.00 -0.55 0.00 0.00 41.25 41.64 1y0u s ASN 28 CO -0.06 -0.26 1.87 1.55 -2.79 0.00 0.00 177.10 177.42 1y0u h PRO 29 N 8.43 0.08 -0.29 0.43 0.13 -1.94 -0.34 132.00 138.51 1y0u h PRO 29 Ca -0.13 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1y0u h PRO 29 Cb 1.12 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1y0u h PRO 29 CO 0.17 0.36 0.04 0.28 -0.23 0.00 0.00 178.00 178.61 1y0u h VAL 30 N 0.08 1.24 -0.85 1.56 2.07 -1.97 -1.69 116.25 116.68 1y0u h VAL 30 Ca 0.01 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1y0u h VAL 30 Cb 0.53 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1y0u h VAL 30 CO 0.04 0.27 0.43 0.03 0.02 0.00 0.00 177.57 178.35 1y0u h ARG 31 N 0.30 1.21 -0.80 1.57 3.08 -1.69 -0.43 114.38 117.63 1y0u h ARG 31 Ca 0.09 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1y0u h ARG 31 Cb 0.35 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1y0u h ARG 31 CO 0.01 0.91 0.51 0.00 -1.07 0.00 0.00 179.97 180.33 1y0u h ARG 32 N 1.20 0.96 -0.51 0.04 3.08 -0.94 -1.12 114.38 117.09 1y0u h ARG 32 Ca 0.29 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 1y0u h ARG 32 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1y0u h ARG 32 CO -0.04 0.64 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.11 1y0u h LYS 33 N 0.99 1.01 -0.49 0.04 3.64 -0.84 -1.38 116.57 119.54 1y0u h LYS 33 Ca 0.32 -0.40 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1y0u h LYS 33 Cb 0.02 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1y0u h LYS 33 CO -0.12 1.09 0.09 0.82 -2.27 0.00 0.00 179.45 179.06 1y0u h ILE 34 N 0.88 0.72 -0.45 2.00 2.04 -0.70 -2.33 117.51 119.66 1y0u h ILE 34 Ca 0.12 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1y0u h ILE 34 Cb 0.74 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1y0u h ILE 34 CO 0.06 0.04 0.26 -0.07 0.00 0.00 0.00 178.15 178.44 1y0u h LEU 35 N 0.22 0.42 -1.23 1.44 3.38 -0.89 0.90 115.31 119.56 1y0u h LEU 35 Ca 0.24 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1y0u h LEU 35 Cb 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1y0u h LEU 35 CO -0.33 0.30 0.00 0.54 0.09 0.00 0.00 178.44 179.05 1y0u n ARG 36 N -4.84 0.12 0.00 1.13 1.74 -0.55 -1.32 116.66 112.94 1y0u n ARG 36 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1y0u n ARG 36 Cb 0.07 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1y0u n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y0u n LEU 38 N 0.55 0.00 0.26 0.55 4.77 0.31 -2.09 117.00 121.36 1y0u n LEU 38 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1y0u n LEU 38 Cb 0.04 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.81 1y0u n LEU 38 CO 0.00 0.00 0.95 -0.78 -1.33 0.00 0.00 177.39 176.23 1y0u h ASP 39 N 0.00 0.00 -0.09 -1.43 3.58 -1.44 -1.41 116.42 115.63 1y0u h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1y0u h ASP 39 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1y0u h ASP 39 CO 0.00 0.10 0.00 0.29 -2.88 0.00 0.00 179.24 176.75 1y0u n LYS 40 N -3.31 1.86 -1.08 0.28 5.02 -0.89 -4.95 118.16 115.10 1y0u n LYS 40 Ca -0.00 -1.26 -0.03 0.00 -2.02 0.00 0.00 58.31 55.00 1y0u n LYS 40 Cb 0.30 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1y0u n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y0u n GLY 41 N 1.22 0.59 3.76 0.72 0.00 -0.53 -5.01 105.19 105.93 1y0u n GLY 41 Ca 0.17 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1y0u n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y0u s ARG 42 N -2.04 3.53 0.67 1.61 1.81 -1.26 -4.98 118.95 118.28 1y0u s ARG 42 Ca 0.00 2.18 -0.13 0.00 -1.72 0.00 0.00 55.73 56.06 1y0u s ARG 42 Cb 0.00 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1y0u s ARG 42 CO 0.00 -0.86 1.08 -1.54 -0.68 0.00 0.00 175.30 173.30 1y0u s SER 43 N -0.88 5.27 0.32 0.23 1.04 -1.26 -4.69 113.70 113.73 1y0u s SER 43 Ca 0.65 1.81 0.04 0.00 0.48 0.00 0.00 55.95 58.93 1y0u s SER 43 Cb -0.39 -2.53 0.64 0.00 0.10 0.00 0.00 66.02 63.85 1y0u s SER 43 CO 0.48 -1.51 1.90 -0.33 0.98 0.00 0.00 173.24 174.75 1y0u h GLU 44 N -0.25 0.87 -0.34 4.02 5.08 -1.99 -1.46 114.58 120.50 1y0u h GLU 44 Ca -0.45 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1y0u h GLU 44 Cb 1.23 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1y0u h GLU 44 CO 0.55 0.57 0.19 0.93 -1.00 0.00 0.00 179.01 180.26 1y0u h GLU 45 N 0.89 0.38 -0.47 2.33 4.39 -2.02 -2.75 114.58 117.34 1y0u h GLU 45 Ca 0.40 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.99 1y0u h GLU 45 Cb 0.37 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1y0u h GLU 45 CO -0.17 0.25 -0.07 0.93 -1.16 0.00 0.00 179.01 178.79 1y0u h GLU 46 N 0.39 0.82 -0.20 2.33 4.39 -1.79 -1.04 114.58 119.49 1y0u h GLU 46 Ca 0.14 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1y0u h GLU 46 Cb 0.01 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1y0u h GLU 46 CO -0.07 0.87 0.00 -0.89 -1.16 0.00 0.00 179.01 177.76 1y0u n ILE 47 N -4.17 0.00 0.00 3.13 5.41 -0.60 -1.12 119.36 122.01 1y0u n ILE 47 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1y0u n ILE 47 Cb 0.35 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 1y0u n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y0u n GLN 49 N 0.54 0.00 0.09 0.38 1.13 -0.39 -1.14 117.38 117.99 1y0u n GLN 49 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1y0u n GLN 49 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1y0u n GLN 49 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1y0u h THR 50 N 0.00 1.55 -0.02 5.09 2.02 -1.38 -3.24 112.91 116.93 1y0u h THR 50 Ca 0.00 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.45 1y0u h THR 50 Cb 0.00 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1y0u h THR 50 CO 0.00 0.79 -0.20 0.18 0.37 0.00 0.00 175.52 176.65 1y0u n LEU 51 N -3.60 2.35 -3.52 2.58 4.77 -0.29 -5.00 117.00 114.29 1y0u n LEU 51 Ca -0.02 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 54.89 1y0u n LEU 51 Cb 0.79 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.95 1y0u n LEU 51 CO 0.46 0.42 0.05 -0.24 -1.33 0.00 0.00 177.39 176.74 1y0u n SER 52 N 0.60 -1.75 -4.47 -1.43 2.88 -1.22 -5.01 113.62 103.21 1y0u n SER 52 Ca 0.10 -0.69 -0.33 0.00 -1.33 0.00 0.00 58.87 56.62 1y0u n SER 52 Cb 0.48 -4.76 -0.13 0.00 -0.75 0.00 0.00 64.21 59.05 1y0u n SER 52 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1y0u s LEU 53 N -6.47 2.99 0.90 2.46 1.43 -1.26 -5.05 118.68 113.68 1y0u s LEU 53 Ca 0.00 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1y0u s LEU 53 Cb -0.00 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.67 1y0u s LEU 53 CO 0.76 0.23 1.10 -0.94 0.23 0.00 0.00 176.35 177.73 1y0u s SER 54 N -0.03 3.48 0.21 2.29 1.04 -1.26 -4.69 113.70 114.75 1y0u s SER 54 Ca -0.01 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 57.65 1y0u s SER 54 Cb -0.14 -2.00 0.30 0.00 0.10 0.00 0.00 66.02 64.29 1y0u s SER 54 CO 0.03 -2.61 1.74 0.11 0.98 0.00 0.00 173.24 173.49 1y0u h LYS 55 N -1.53 0.38 -0.44 4.02 1.57 -2.00 0.46 116.57 119.03 1y0u h LYS 55 Ca -0.50 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1y0u h LYS 55 Cb 1.30 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1y0u h LYS 55 CO 0.57 0.25 0.25 -0.22 -0.57 0.00 0.00 179.45 179.73 1y0u h LYS 56 N 0.39 0.61 -0.50 3.15 3.64 -1.99 0.32 116.57 122.18 1y0u h LYS 56 Ca 0.32 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1y0u h LYS 56 Cb 0.42 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1y0u h LYS 56 CO -0.33 0.47 0.13 1.96 -2.27 0.00 0.00 179.45 179.41 1y0u h GLN 57 N 0.58 0.80 -0.28 1.90 4.20 -1.74 -0.78 115.11 119.77 1y0u h GLN 57 Ca 0.16 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1y0u h GLN 57 Cb 0.03 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1y0u h GLN 57 CO -0.03 0.76 0.08 1.25 -0.67 0.00 0.00 178.83 180.23 1y0u h LEU 58 N 0.69 0.42 -0.83 1.46 5.85 -0.78 -1.81 115.31 120.30 1y0u h LEU 58 Ca 0.16 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1y0u h LEU 58 Cb 0.31 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1y0u h LEU 58 CO -0.00 0.52 0.49 0.44 -0.34 0.00 0.00 178.44 179.54 1y0u h ASP 59 N 0.29 0.72 0.02 1.25 3.32 -0.76 0.15 116.42 121.42 1y0u h ASP 59 Ca 0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1y0u h ASP 59 Cb 0.25 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1y0u h ASP 59 CO -0.00 0.42 -0.02 0.22 -1.72 0.00 0.00 179.24 178.14 1y0u h TYR 60 N 0.84 -0.06 -0.88 4.55 3.20 -0.92 -0.45 116.97 123.25 1y0u h TYR 60 Ca 0.39 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 1y0u h TYR 60 Cb 0.32 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1y0u h TYR 60 CO -0.05 -0.04 0.53 0.45 -1.64 0.00 0.00 178.16 177.41 1y0u h HIS 61 N -0.06 1.17 -0.64 -3.82 3.86 -0.45 -1.38 115.15 113.83 1y0u h HIS 61 Ca 0.00 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1y0u h HIS 61 Cb 0.05 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.11 1y0u h HIS 61 CO -0.09 0.78 0.33 -0.07 0.86 0.00 0.00 177.93 179.74 1y0u h LEU 62 N 1.22 0.82 -0.58 2.43 3.38 -0.56 -0.08 115.31 121.95 1y0u h LEU 62 Ca 0.32 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1y0u h LEU 62 Cb -0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1y0u h LEU 62 CO -0.06 0.70 0.32 0.50 0.09 0.00 0.00 178.44 179.99 1y0u h LYS 63 N 0.88 0.59 -0.46 1.13 3.64 -0.58 0.94 116.57 122.71 1y0u h LYS 63 Ca 0.22 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1y0u h LYS 63 Cb 0.08 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1y0u h LYS 63 CO -0.03 0.39 0.02 0.28 -2.27 0.00 0.00 179.45 177.84 1y0u h VAL 64 N 0.61 1.26 -0.77 2.00 2.07 -0.92 0.18 116.25 120.67 1y0u h VAL 64 Ca 0.25 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1y0u h VAL 64 Cb 0.12 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1y0u h VAL 64 CO -0.15 0.35 0.26 -0.07 0.02 0.00 0.00 177.57 177.98 1y0u h LEU 65 N 0.65 1.10 -0.25 2.57 3.38 -0.62 -0.76 115.31 121.37 1y0u h LEU 65 Ca 0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1y0u h LEU 65 Cb 0.47 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1y0u h LEU 65 CO 0.02 1.00 -0.00 -0.08 0.09 0.00 0.00 178.44 179.47 1y0u h GLU 66 N 1.13 0.45 0.00 1.13 4.81 -0.61 -0.90 114.58 120.60 1y0u h GLU 66 Ca 0.25 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1y0u h GLU 66 Cb 0.28 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1y0u h GLU 66 CO -0.01 0.62 -0.09 0.00 -0.73 0.00 0.00 179.01 178.80 1y0u h ALA 67 N 0.81 1.61 -0.51 2.92 0.00 -0.76 -1.96 119.26 121.37 1y0u h ALA 67 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y0u h ALA 67 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y0u h ALA 67 CO 0.01 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1y0u n GLY 68 N -1.11 2.61 2.36 0.00 0.00 -0.31 -4.73 105.19 104.02 1y0u n GLY 68 Ca -0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1y0u n GLY 68 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y0u n PHE 69 N 0.68 0.00 0.03 1.61 3.72 -0.74 -4.31 117.46 118.44 1y0u n PHE 69 Ca 0.23 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.66 1y0u n PHE 69 Cb 0.96 -1.77 -0.09 0.00 -0.94 0.00 0.00 39.48 37.65 1y0u n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y0u s ILE 71 N -3.05 0.26 0.02 0.00 -4.36 -1.23 -1.19 121.20 111.65 1y0u s ILE 71 Ca -0.04 -1.24 -0.00 0.00 -0.26 0.00 0.00 60.65 59.11 1y0u s ILE 71 Cb 0.09 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 43.05 1y0u s ILE 71 CO 0.82 -0.63 -0.03 -1.61 0.24 0.00 0.00 174.94 173.74 1y0u s GLU 72 N -2.26 0.34 -0.09 0.37 2.02 -0.12 -4.46 118.70 114.50 1y0u s GLU 72 Ca -0.07 -0.66 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 1y0u s GLU 72 Cb -0.04 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.26 1y0u s GLU 72 CO -0.03 -0.06 0.47 0.50 0.02 0.00 0.00 175.26 176.16 1y0u s ARG 73 N -1.67 4.28 -0.28 1.61 3.52 -1.26 -0.04 118.95 125.11 1y0u s ARG 73 Ca -0.14 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.94 1y0u s ARG 73 Cb -0.08 -3.40 0.07 0.00 -1.56 0.00 0.00 34.95 29.98 1y0u s ARG 73 CO -0.02 0.25 -0.06 0.08 -0.81 0.00 0.00 175.30 174.75 1y0u s VAL 74 N 0.32 2.13 0.00 7.11 1.01 0.17 -4.96 120.40 126.17 1y0u s VAL 74 Ca 0.26 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1y0u s VAL 74 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1y0u s VAL 74 CO 0.11 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1y0u n GLY 75 N 4.41 3.63 1.20 4.51 0.00 -1.26 -2.07 105.19 115.61 1y0u n GLY 75 Ca -0.09 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1y0u n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y0u n GLU 76 N 13.37 2.60 -4.48 1.61 1.02 -1.26 -4.95 120.64 128.55 1y0u n GLU 76 Ca 0.00 -2.43 -0.34 0.00 -0.02 0.00 0.00 57.16 54.37 1y0u n GLU 76 Cb 0.00 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 29.78 1y0u n GLU 76 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1y0u s ARG 77 N -1.21 3.34 -0.14 3.49 3.52 -0.88 -5.10 118.95 121.98 1y0u s ARG 77 Ca 0.42 -0.53 -0.22 0.00 -0.13 0.00 0.00 55.73 55.27 1y0u s ARG 77 Cb 0.23 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1y0u s ARG 77 CO 0.31 0.40 0.67 -1.58 -0.81 0.00 0.00 175.30 174.29 1y0u s TRP 78 N -0.08 3.46 -0.11 5.12 0.52 -1.26 -0.66 118.94 125.93 1y0u s TRP 78 Ca 0.02 1.09 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 1y0u s TRP 78 Cb -0.13 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1y0u s TRP 78 CO 0.03 -0.06 -0.10 0.08 0.02 0.00 0.00 176.95 176.92 1y0u s VAL 79 N 1.45 3.40 -0.01 4.03 1.01 0.94 -4.90 120.40 126.32 1y0u s VAL 79 Ca 0.33 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1y0u s VAL 79 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1y0u s VAL 79 CO 0.13 0.54 1.08 -0.69 0.00 0.00 0.00 175.10 176.16 1y0u s VAL 80 N -0.03 4.54 0.78 2.92 1.01 -1.26 -0.94 120.40 127.41 1y0u s VAL 80 Ca -0.01 1.83 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 1y0u s VAL 80 Cb -0.14 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.15 1y0u s VAL 80 CO 0.03 0.10 1.12 0.42 0.00 0.00 0.00 175.10 176.77 1y0u s THR 81 N 1.39 2.12 0.26 3.92 -4.23 -0.34 -4.88 115.64 113.87 1y0u s THR 81 Ca 0.54 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1y0u s THR 81 Cb -0.23 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1y0u s THR 81 CO 0.26 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.59 1y0u h ASP 82 N -0.90 0.75 -0.50 3.99 3.32 -1.89 -1.14 116.42 120.04 1y0u h ASP 82 Ca -0.45 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1y0u h ASP 82 Cb 1.32 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1y0u h ASP 82 CO 0.61 0.42 0.24 0.00 -1.72 0.00 0.00 179.24 178.79 1y0u h ALA 83 N 1.48 1.42 0.00 3.45 0.00 -1.90 -2.82 119.26 120.89 1y0u h ALA 83 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1y0u h ALA 83 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1y0u h ALA 83 CO -0.25 0.46 0.00 0.78 0.00 0.00 0.00 179.25 180.23 1y0u h GLY 84 N 0.87 0.00 -6.95 0.00 0.00 -1.36 -3.43 103.07 92.20 1y0u h GLY 84 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.96 1y0u h GLY 84 CO -0.02 0.00 0.99 0.54 0.00 0.00 0.00 176.54 178.05 1y0u s LYS 85 N -3.23 3.51 -0.16 4.80 1.02 -0.68 -4.89 119.74 120.10 1y0u s LYS 85 Ca 0.07 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.37 1y0u s LYS 85 Cb 0.09 -4.02 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 1y0u s LYS 85 CO 0.59 -1.68 -0.09 0.42 -0.92 0.00 0.00 175.35 173.67 1y0u s ILE 86 N 5.06 3.30 0.00 2.17 1.01 -1.26 -5.01 121.20 126.47 1y0u s ILE 86 Ca 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1y0u s ILE 86 Cb -0.08 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1y0u s ILE 86 CO 0.26 0.49 0.00 1.33 0.00 0.00 0.00 174.94 177.02