#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 -5.62 -0.96 1.61 7.64 -1.26 -5.05 113.62 109.98 1x57 n SER 2 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1x57 n SER 2 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1x57 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x57 n SER 3 N -3.39 0.00 -0.12 6.43 3.41 -1.26 -5.11 113.62 113.57 1x57 n SER 3 Ca 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1x57 n SER 3 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1x57 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 4 N 0.00 0.60 2.92 5.00 0.00 -1.26 -5.10 105.19 107.35 1x57 n GLY 4 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x57 s SER 5 N -0.11 -1.35 0.24 1.61 0.01 -1.26 -5.06 113.70 107.77 1x57 s SER 5 Ca 0.00 -1.21 -0.06 0.00 1.31 0.00 0.00 55.95 55.98 1x57 s SER 5 Cb 0.00 1.75 0.28 0.00 0.21 0.00 0.00 66.02 68.27 1x57 s SER 5 CO 0.00 -0.09 1.88 0.28 0.41 0.00 0.00 173.24 175.72 1x57 h SER 6 N 5.72 0.94 -4.01 2.44 0.02 -2.05 -3.49 113.55 113.11 1x57 h SER 6 Ca 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x57 h SER 6 Cb 1.15 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1x57 h SER 6 CO 0.03 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1x57 n GLY 7 N -1.34 -1.80 3.21 -3.77 0.00 -1.26 -5.04 105.19 95.19 1x57 n GLY 7 Ca 0.11 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.66 1x57 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x57 s ASP 8 N -4.53 -0.90 0.10 1.61 2.15 -1.26 -5.18 116.67 108.66 1x57 s ASP 8 Ca 0.00 0.67 -0.15 0.00 0.43 0.00 0.00 52.55 53.50 1x57 s ASP 8 Cb 0.00 1.79 0.03 0.00 -0.30 0.00 0.00 42.92 44.44 1x57 s ASP 8 CO 0.00 -0.17 0.35 -0.13 -0.17 0.00 0.00 175.17 175.06 1x57 s ARG 9 N 2.85 0.99 0.45 4.34 0.52 -1.26 -5.15 118.95 121.69 1x57 s ARG 9 Ca 0.08 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 54.38 1x57 s ARG 9 Cb -0.12 0.43 -0.10 0.00 0.52 0.00 0.00 34.95 35.68 1x57 s ARG 9 CO -0.16 -0.36 0.97 0.14 0.02 0.00 0.00 175.30 175.90 1x57 s VAL 10 N -3.56 4.29 0.05 3.52 -7.23 -1.26 -5.09 120.40 111.12 1x57 s VAL 10 Ca 0.02 1.39 -0.28 0.00 -1.81 0.00 0.00 61.98 61.30 1x57 s VAL 10 Cb 0.02 -3.58 0.10 0.00 0.56 0.00 0.00 36.38 33.48 1x57 s VAL 10 CO -0.10 -0.34 1.17 0.28 -0.31 0.00 0.00 175.10 175.80 1x57 s THR 11 N -2.19 0.00 0.71 5.32 -1.32 -1.26 -5.09 115.64 111.82 1x57 s THR 11 Ca 0.63 -0.38 -0.16 0.00 -1.21 0.00 0.00 61.69 60.56 1x57 s THR 11 Cb -0.10 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.69 1x57 s THR 11 CO 0.16 0.00 1.11 0.18 -2.21 0.00 0.00 174.62 173.86 1x57 n LEU 12 N -0.55 4.46 -0.22 9.08 4.32 -1.26 -4.77 117.00 128.05 1x57 n LEU 12 Ca -0.06 0.71 -0.04 0.00 -0.02 0.00 0.00 56.01 56.60 1x57 n LEU 12 Cb 0.61 -1.47 0.06 0.00 -1.62 0.00 0.00 43.42 41.01 1x57 n LEU 12 CO 0.14 -1.65 1.11 -0.33 -1.22 0.00 0.00 177.39 175.44 1x57 h GLU 13 N -0.12 0.75 0.53 3.23 5.08 -1.99 -0.02 114.58 122.04 1x57 h GLU 13 Ca -0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1x57 h GLU 13 Cb 1.33 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1x57 h GLU 13 CO 0.49 0.50 -0.36 0.28 -1.00 0.00 0.00 179.01 178.92 1x57 h VAL 14 N 0.77 0.27 -1.00 3.13 2.07 -1.92 -1.75 116.25 117.83 1x57 h VAL 14 Ca 0.26 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.89 1x57 h VAL 14 Cb 0.02 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 1x57 h VAL 14 CO -0.11 0.00 0.63 1.23 0.02 0.00 0.00 177.57 179.35 1x57 h GLY 15 N -0.85 1.60 1.01 2.17 0.00 -1.70 -0.14 103.07 105.15 1x57 h GLY 15 Ca -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1x57 h GLY 15 CO 0.04 0.20 -0.37 1.70 0.00 0.00 0.00 176.54 178.11 1x57 h LYS 16 N 1.02 -1.01 -0.17 4.80 1.63 -0.77 -0.27 116.57 121.81 1x57 h LYS 16 Ca 0.48 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.33 1x57 h LYS 16 Cb 0.43 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1x57 h LYS 16 CO -0.24 -0.67 0.02 0.28 -3.45 0.00 0.00 179.45 175.39 1x57 h VAL 17 N -1.05 1.10 0.47 2.00 2.07 -0.76 -0.53 116.25 119.54 1x57 h VAL 17 Ca -0.11 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1x57 h VAL 17 Cb 0.80 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1x57 h VAL 17 CO 0.18 0.13 -0.22 0.40 0.02 0.00 0.00 177.57 178.07 1x57 h ILE 18 N 0.24 0.44 -0.44 4.57 2.04 -0.86 0.28 117.51 123.78 1x57 h ILE 18 Ca 0.06 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1x57 h ILE 18 Cb 0.14 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1x57 h ILE 18 CO 0.00 0.06 -0.06 -0.61 0.00 0.00 0.00 178.15 177.55 1x57 h GLN 19 N -0.91 0.05 0.21 2.37 4.15 -0.66 -0.58 115.11 119.74 1x57 h GLN 19 Ca -0.06 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1x57 h GLN 19 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1x57 h GLN 19 CO 0.10 0.03 -0.10 1.96 -1.93 0.00 0.00 178.83 178.90 1x57 h GLN 20 N 0.05 -0.27 -0.31 1.69 4.20 -1.13 -1.92 115.11 117.41 1x57 h GLN 20 Ca 0.22 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 1x57 h GLN 20 Cb 0.33 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1x57 h GLN 20 CO -0.41 0.04 -0.03 0.78 -0.67 0.00 0.00 178.83 178.53 1x57 h GLY 21 N -0.60 0.53 0.77 3.46 0.00 -0.16 0.11 103.07 107.17 1x57 h GLY 21 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1x57 h GLY 21 CO 0.05 0.30 -0.05 3.21 0.00 0.00 0.00 176.54 180.05 1x57 h ARG 22 N 0.47 -0.13 -0.96 4.80 3.08 -1.16 -3.09 114.38 117.38 1x57 h ARG 22 Ca 0.10 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.35 1x57 h ARG 22 Cb 0.36 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 1x57 h ARG 22 CO 0.01 0.12 0.61 1.96 -1.07 0.00 0.00 179.97 181.60 1x57 h GLN 23 N -0.37 0.61 0.00 0.04 4.20 -0.46 0.76 115.11 119.89 1x57 h GLN 23 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1x57 h GLN 23 Cb 0.31 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1x57 h GLN 23 CO 0.02 0.40 0.00 0.43 -0.67 0.00 0.00 178.83 179.02 1x57 n SER 24 N -4.64 0.00 0.00 1.46 7.64 0.28 -2.97 113.62 115.39 1x57 n SER 24 Ca 0.21 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1x57 n SER 24 Cb 0.61 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -1.12 0.29 -1.51 1.43 5.02 0.05 -5.03 118.16 117.29 1x57 n LYS 25 Ca 0.14 -0.48 -0.14 0.00 -2.02 0.00 0.00 58.31 55.80 1x57 n LYS 25 Cb 0.11 -0.59 -0.06 0.00 -0.02 0.00 0.00 35.03 34.48 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.06 1.31 3.78 0.72 0.00 0.01 -4.99 105.19 105.97 1x57 n GLY 26 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N -3.37 4.38 0.92 0.99 1.43 -0.61 -4.99 118.68 117.43 1x57 s LEU 27 Ca 0.00 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.81 1x57 s LEU 27 Cb 0.00 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.79 1x57 s LEU 27 CO 0.00 0.19 1.14 0.42 0.23 0.00 0.00 176.35 178.34 1x57 s THR 28 N -0.32 1.99 0.45 5.49 -4.23 -1.26 -4.49 115.64 113.27 1x57 s THR 28 Ca 0.23 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.91 1x57 s THR 28 Cb -0.16 -2.75 0.21 0.00 1.34 0.00 0.00 72.50 71.15 1x57 s THR 28 CO 0.11 0.00 2.03 1.56 -0.54 0.00 0.00 174.62 177.77 1x57 h GLN 29 N -1.54 0.00 -0.23 3.99 4.20 -1.98 -2.13 115.11 117.42 1x57 h GLN 29 Ca -0.50 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.05 1x57 h GLN 29 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1x57 h GLN 29 CO 0.60 0.15 -0.49 -0.22 -0.67 0.00 0.00 178.83 178.21 1x57 h LYS 30 N 0.00 0.63 -0.46 1.46 3.11 -1.93 -0.80 116.57 118.58 1x57 h LYS 30 Ca -0.00 -0.36 -0.09 0.00 -2.81 0.00 0.00 60.65 57.39 1x57 h LYS 30 Cb 0.29 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1x57 h LYS 30 CO 0.02 0.97 -0.07 -0.44 -2.81 0.00 0.00 179.45 177.12 1x57 h ASP 31 N 0.50 0.79 -0.08 4.20 5.19 -1.88 -2.70 116.42 122.44 1x57 h ASP 31 Ca 0.02 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1x57 h ASP 31 Cb 1.03 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 1x57 h ASP 31 CO 0.10 0.90 -0.03 0.25 -3.12 0.00 0.00 179.24 177.34 1x57 h LEU 32 N 0.74 0.16 -0.64 1.55 7.12 -0.91 0.15 115.31 123.49 1x57 h LEU 32 Ca 0.13 -0.39 0.13 0.00 0.13 0.00 0.00 57.88 57.88 1x57 h LEU 32 Cb 0.55 -0.05 -0.11 0.00 -0.53 0.00 0.00 40.66 40.52 1x57 h LEU 32 CO 0.03 0.52 -0.06 0.00 -0.13 0.00 0.00 178.44 178.80 1x57 h ALA 33 N 0.65 0.55 -0.12 1.25 0.00 -1.21 -0.74 119.26 119.64 1x57 h ALA 33 Ca 0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x57 h ALA 33 Cb 0.45 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x57 h ALA 33 CO 0.01 -0.41 0.07 1.15 0.00 0.00 0.00 179.25 180.07 1x57 h THR 34 N 0.07 1.06 0.00 0.00 2.02 -1.16 0.73 112.91 115.62 1x57 h THR 34 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1x57 h THR 34 Cb 0.52 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1x57 h THR 34 CO -0.59 0.06 0.05 0.29 0.37 0.00 0.00 175.52 175.69 1x57 n LYS 35 N -4.98 0.05 0.00 6.66 5.02 0.51 -1.59 118.16 123.83 1x57 n LYS 35 Ca -0.05 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1x57 n LYS 35 Cb 0.05 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1x57 n LYS 35 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x57 n ILE 36 N -1.72 0.00 -3.55 -0.18 -5.35 -0.88 -4.76 119.36 102.92 1x57 n ILE 36 Ca -0.00 -0.29 -0.31 0.00 -0.27 0.00 0.00 62.75 61.88 1x57 n ILE 36 Cb 0.06 1.43 0.02 0.00 -1.74 0.00 0.00 39.64 39.41 1x57 n ILE 36 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x57 n ASN 37 N -0.00 -5.52 -3.36 7.28 5.15 -0.24 -5.05 115.26 113.53 1x57 n ASN 37 Ca 0.00 -0.38 -0.21 0.00 -0.60 0.00 0.00 54.58 53.39 1x57 n ASN 37 Cb 0.11 -2.02 -0.07 0.00 -0.53 0.00 0.00 39.78 37.27 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1x57 n GLU 38 N -1.06 0.45 -3.21 1.20 -0.58 0.08 -5.02 120.64 112.49 1x57 n GLU 38 Ca -0.15 -3.30 -0.38 0.00 -0.42 0.00 0.00 57.16 52.91 1x57 n GLU 38 Cb 0.67 2.47 -0.06 0.00 -0.57 0.00 0.00 31.44 33.95 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x57 s LYS 39 N -3.38 4.23 0.55 3.49 -0.14 -1.26 -4.33 119.74 118.89 1x57 s LYS 39 Ca 0.34 0.78 0.36 0.00 -1.36 0.00 0.00 55.97 56.10 1x57 s LYS 39 Cb 0.02 -3.12 1.79 0.00 -1.68 0.00 0.00 37.83 34.83 1x57 s LYS 39 CO 0.24 0.56 2.09 -1.00 -0.76 0.00 0.00 175.35 176.48 1x57 h PRO 40 N 4.12 0.00 0.20 -1.68 0.13 -1.90 -2.05 132.00 130.82 1x57 h PRO 40 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1x57 h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x57 h PRO 40 CO 0.65 0.00 -0.10 0.37 -0.23 0.00 0.00 178.00 178.69 1x57 h GLN 41 N 0.00 -0.26 -0.18 0.86 5.75 -1.94 -1.12 115.11 118.23 1x57 h GLN 41 Ca 0.00 0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 1x57 h GLN 41 Cb 0.20 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1x57 h GLN 41 CO 0.00 -0.08 -0.45 -0.39 -2.65 0.00 0.00 178.83 175.26 1x57 h VAL 42 N -0.38 1.32 -0.26 2.39 -1.51 -1.79 -2.29 116.25 113.73 1x57 h VAL 42 Ca -0.03 -1.64 0.04 0.00 -1.23 0.00 0.00 66.70 63.85 1x57 h VAL 42 Cb 0.29 1.67 -0.04 0.00 -2.13 0.00 0.00 31.29 31.08 1x57 h VAL 42 CO 0.04 0.50 0.03 0.40 -1.23 0.00 0.00 177.57 177.32 1x57 h ILE 43 N 0.36 0.85 0.00 7.19 1.08 -1.42 -0.36 117.51 125.20 1x57 h ILE 43 Ca 0.02 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1x57 h ILE 43 Cb 0.93 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1x57 h ILE 43 CO 0.08 0.02 -0.02 0.00 -0.69 0.00 0.00 178.15 177.54 1x57 h ALA 44 N 1.20 1.05 0.18 1.87 0.00 -0.95 -1.93 119.26 120.69 1x57 h ALA 44 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1x57 h ALA 44 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x57 h ALA 44 CO -0.18 0.03 -0.09 0.22 0.00 0.00 0.00 179.25 179.23 1x57 h ASP 45 N 0.00 -0.21 -0.85 0.00 3.58 -0.65 -3.33 116.42 114.96 1x57 h ASP 45 Ca -0.00 -0.32 0.17 0.00 0.42 0.00 0.00 57.03 57.29 1x57 h ASP 45 Cb 0.26 0.05 -0.16 0.00 1.72 0.00 0.00 39.33 41.20 1x57 h ASP 45 CO 0.00 0.30 -0.24 1.88 -2.88 0.00 0.00 179.24 178.30 1x57 h TYR 46 N -0.80 -0.54 0.00 0.28 -1.99 -0.34 -0.85 116.97 112.72 1x57 h TYR 46 Ca -0.03 0.08 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1x57 h TYR 46 Cb 0.52 0.37 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1x57 h TYR 46 CO 0.07 -0.37 -0.36 0.93 -0.00 0.00 0.00 178.16 178.42 1x57 h GLU 47 N -0.01 0.00 -0.28 4.88 3.07 -1.59 0.47 114.58 121.12 1x57 h GLU 47 Ca 0.39 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.11 1x57 h GLU 47 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1x57 h GLU 47 CO -0.88 0.36 -0.42 0.77 -1.40 0.00 0.00 179.01 177.44 1x57 h SER 48 N 0.00 0.72 0.00 1.42 0.02 -1.51 -3.42 113.55 110.78 1x57 h SER 48 Ca -0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1x57 h SER 48 Cb 0.67 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1x57 h SER 48 CO 0.05 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 1x57 n GLY 49 N 0.07 1.09 0.07 -3.77 0.00 0.15 -4.80 105.19 98.00 1x57 n GLY 49 Ca -0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 0.00 -0.00 -7.36 1.61 3.08 -1.76 -3.46 114.38 106.49 1x57 h ARG 50 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1x57 h ARG 50 Cb 0.44 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.65 1x57 h ARG 50 CO 0.00 0.88 0.23 0.00 -1.07 0.00 0.00 179.97 180.01 1x57 s ALA 51 N -2.41 1.32 -0.14 0.04 0.00 -1.26 -5.05 121.76 114.26 1x57 s ALA 51 Ca -0.17 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1x57 s ALA 51 Cb -0.02 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1x57 s ALA 51 CO 0.64 -2.54 0.58 0.42 0.00 0.00 0.00 175.76 174.86 1x57 s ILE 52 N -2.98 5.09 -0.26 0.00 -1.09 -1.26 -4.92 121.20 115.79 1x57 s ILE 52 Ca 0.64 1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 59.91 1x57 s ILE 52 Cb -0.18 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1x57 s ILE 52 CO 0.57 0.23 1.46 -2.16 -1.23 0.00 0.00 174.94 173.80 1x57 s PRO 53 N 1.17 3.86 -0.14 2.79 0.04 -1.26 -4.98 135.00 136.49 1x57 s PRO 53 Ca 0.29 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1x57 s PRO 53 Cb -0.16 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1x57 s PRO 53 CO 0.12 -1.20 0.17 1.21 0.04 0.00 0.00 177.00 177.34 1x57 s ASN 54 N 3.49 6.37 0.37 6.66 2.47 -1.26 -4.96 114.94 128.08 1x57 s ASN 54 Ca 0.64 0.44 0.12 0.00 0.42 0.00 0.00 52.86 54.47 1x57 s ASN 54 Cb -0.21 -2.10 0.91 0.00 -1.45 0.00 0.00 41.25 38.40 1x57 s ASN 54 CO 0.26 0.30 1.84 0.78 -3.72 0.00 0.00 177.10 176.56 1x57 h ASN 55 N 5.64 0.58 0.40 -4.21 2.35 -1.98 0.42 115.58 118.79 1x57 h ASN 55 Ca -0.49 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 1x57 h ASN 55 Cb 1.20 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 1x57 h ASN 55 CO 0.65 0.25 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.82 1x57 h GLN 56 N 0.59 -0.59 -0.77 0.81 5.75 -2.00 -1.53 115.11 117.38 1x57 h GLN 56 Ca 0.49 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.99 1x57 h GLN 56 Cb 0.97 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 1x57 h GLN 56 CO -0.24 -0.39 0.30 0.28 -2.65 0.00 0.00 178.83 176.13 1x57 h VAL 57 N -0.61 1.26 -0.38 2.39 2.07 -1.86 -2.73 116.25 116.39 1x57 h VAL 57 Ca -0.05 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1x57 h VAL 57 Cb 0.50 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1x57 h VAL 57 CO 0.05 0.33 -0.25 -0.07 0.02 0.00 0.00 177.57 177.65 1x57 h LEU 58 N 1.11 -0.82 -1.69 2.57 3.38 -0.90 -0.50 115.31 118.46 1x57 h LEU 58 Ca 0.25 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1x57 h LEU 58 Cb 0.22 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1x57 h LEU 58 CO -0.02 -0.27 -0.00 1.23 0.09 0.00 0.00 178.44 179.47 1x57 h GLY 59 N -0.19 0.20 0.93 0.83 0.00 -0.96 0.10 103.07 104.00 1x57 h GLY 59 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1x57 h GLY 59 CO -0.49 0.09 -0.10 0.50 0.00 0.00 0.00 176.54 176.54 1x57 h LYS 60 N 0.19 0.67 -0.56 4.80 1.57 -1.09 -2.86 116.57 119.29 1x57 h LYS 60 Ca 0.05 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1x57 h LYS 60 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1x57 h LYS 60 CO 0.00 0.84 0.16 0.82 -0.57 0.00 0.00 179.45 180.70 1x57 h ILE 61 N 0.45 1.22 -0.11 1.86 2.04 0.10 -1.35 117.51 121.73 1x57 h ILE 61 Ca 0.08 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1x57 h ILE 61 Cb 0.60 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1x57 h ILE 61 CO 0.04 0.30 -0.08 -0.33 0.00 0.00 0.00 178.15 178.07 1x57 h GLU 62 N 0.82 -0.09 0.00 2.37 5.08 -0.73 -0.58 114.58 121.46 1x57 h GLU 62 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x57 h GLU 62 Cb 0.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1x57 h GLU 62 CO -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1x57 h ARG 63 N -0.10 0.00 -0.24 2.33 3.08 -1.27 0.26 114.38 118.44 1x57 h ARG 63 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1x57 h ARG 63 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x57 h ARG 63 CO -0.17 0.00 -0.13 0.00 -1.07 0.00 0.00 179.97 178.60 1x57 h ALA 64 N 2.02 0.34 0.00 0.04 0.00 0.05 -3.37 119.26 118.35 1x57 h ALA 64 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1x57 h ALA 64 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x57 h ALA 64 CO 0.00 0.22 -0.29 0.44 0.00 0.00 0.00 179.25 179.62 1x57 n ILE 65 N -4.47 0.00 -1.57 0.00 -5.35 -1.00 -5.02 119.36 101.95 1x57 n ILE 65 Ca -0.04 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 61.99 1x57 n ILE 65 Cb 0.36 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.22 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 1.15 0.71 3.46 3.28 0.00 0.89 -4.73 105.19 109.95 1x57 n GLY 66 Ca 0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -2.21 2.60 0.28 0.99 1.43 -1.21 -1.36 118.68 119.20 1x57 s LEU 67 Ca 0.00 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.73 1x57 s LEU 67 Cb 0.00 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.18 1x57 s LEU 67 CO 0.00 -0.10 1.10 -0.54 0.23 0.00 0.00 176.35 177.04 1x57 s LYS 68 N -3.58 4.62 0.00 1.70 1.02 0.10 -4.38 119.74 119.22 1x57 s LYS 68 Ca 0.29 1.79 0.01 0.00 0.02 0.00 0.00 55.97 58.08 1x57 s LYS 68 Cb -0.02 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1x57 s LYS 68 CO 0.13 0.20 1.01 1.28 -0.92 0.00 0.00 175.35 177.05 1x57 n LEU 69 N 1.13 2.04 -4.35 3.17 7.99 -1.26 -1.13 117.00 124.59 1x57 n LEU 69 Ca -0.01 -1.99 -0.18 0.00 -0.01 0.00 0.00 56.01 53.82 1x57 n LEU 69 Cb 0.45 -0.01 -0.10 0.00 -0.11 0.00 0.00 43.42 43.65 1x57 n LEU 69 CO 0.54 0.51 -0.31 -0.13 -1.51 0.00 0.00 177.39 176.48 1x57 s ARG 70 N -0.99 1.40 0.07 3.23 0.52 -1.26 -4.85 118.95 117.06 1x57 s ARG 70 Ca 0.01 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 1x57 s ARG 70 Cb 0.01 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1x57 s ARG 70 CO 0.01 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1x57 n GLY 71 N -0.47 -1.59 0.31 -3.53 0.00 -1.26 -4.09 105.19 94.55 1x57 n GLY 71 Ca -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.54 1x57 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x57 n LYS 72 N -1.94 1.34 -0.61 1.61 5.02 -1.26 -3.67 118.16 118.64 1x57 n LYS 72 Ca -0.00 -0.44 0.08 0.00 -2.02 0.00 0.00 58.31 55.93 1x57 n LYS 72 Cb 0.11 -1.19 0.34 0.00 -0.02 0.00 0.00 35.03 34.28 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x57 n ASP 73 N -0.11 4.70 -4.66 4.39 9.92 -1.26 -5.06 116.55 124.48 1x57 n ASP 73 Ca 0.04 -2.60 -0.41 0.00 -0.53 0.00 0.00 54.79 51.29 1x57 n ASP 73 Cb 0.15 -0.57 0.01 0.00 -0.64 0.00 0.00 41.12 40.08 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 n ILE 74 N 0.72 2.50 -0.53 0.53 3.06 -1.24 -1.68 119.36 122.71 1x57 n ILE 74 Ca 0.24 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 1x57 n ILE 74 Cb 0.92 -1.36 0.00 0.00 0.54 0.00 0.00 39.64 39.74 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 0.99 1.76 3.78 4.50 0.00 -0.28 -4.95 105.19 111.00 1x57 n GLY 75 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.04 3.61 0.48 1.61 -0.14 -0.68 -4.71 119.74 119.88 1x57 s LYS 76 Ca 0.00 1.55 -0.19 0.00 -1.36 0.00 0.00 55.97 55.97 1x57 s LYS 76 Cb 0.00 -2.13 -0.09 0.00 -1.68 0.00 0.00 37.83 33.93 1x57 s LYS 76 CO 0.00 -0.62 1.00 -1.25 -0.76 0.00 0.00 175.35 173.72 1x57 s PRO 77 N -3.12 3.91 -0.21 -1.68 0.04 -1.26 0.02 135.00 132.70 1x57 s PRO 77 Ca 0.69 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 1x57 s PRO 77 Cb -0.22 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1x57 s PRO 77 CO 0.26 -0.32 0.12 0.96 0.04 0.00 0.00 177.00 178.06 1x57 s ILE 78 N -2.20 5.16 -1.35 0.56 -4.36 -0.47 -4.66 121.20 113.89 1x57 s ILE 78 Ca 0.64 0.11 -0.20 0.00 -0.26 0.00 0.00 60.65 60.94 1x57 s ILE 78 Cb -0.13 -3.37 0.02 0.00 1.25 0.00 0.00 42.46 40.24 1x57 s ILE 78 CO 0.21 0.41 0.42 -1.84 0.24 0.00 0.00 174.94 174.39 1x57 n GLU 79 N 3.84 -0.73 -3.60 0.37 0.28 -1.26 -0.25 120.64 119.30 1x57 n GLU 79 Ca -0.16 0.12 -0.23 0.00 -0.16 0.00 0.00 57.16 56.72 1x57 n GLU 79 Cb 0.52 -3.10 0.08 0.00 1.43 0.00 0.00 31.44 30.37 1x57 n GLU 79 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1x57 n LYS 80 N -4.82 -7.63 -0.38 3.44 5.02 -1.26 -5.05 118.16 107.48 1x57 n LYS 80 Ca -0.20 0.82 -0.28 0.00 -2.02 0.00 0.00 58.31 56.63 1x57 n LYS 80 Cb 0.62 -5.85 0.25 0.00 -0.02 0.00 0.00 35.03 30.03 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 81 N -1.87 -3.08 3.79 0.72 0.00 0.66 -4.99 105.19 100.41 1x57 n GLY 81 Ca -0.03 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1x57 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 82 N -4.44 3.15 1.16 1.61 0.04 -1.26 -4.78 135.00 130.48 1x57 s PRO 82 Ca 0.61 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1x57 s PRO 82 Cb -0.15 -2.00 0.27 0.00 0.04 0.00 0.00 34.50 32.66 1x57 s PRO 82 CO 0.56 -0.96 1.11 1.03 0.04 0.00 0.00 177.00 178.77 1x57 s ARG 83 N -3.92 -0.86 0.13 4.56 0.52 -1.26 -4.48 118.95 113.64 1x57 s ARG 83 Ca 0.66 0.06 -0.06 0.00 -0.52 0.00 0.00 55.73 55.87 1x57 s ARG 83 Cb -0.19 -1.63 -0.02 0.00 0.52 0.00 0.00 34.95 33.64 1x57 s ARG 83 CO 0.36 -3.50 0.17 0.00 0.02 0.00 0.00 175.30 172.35 1x57 s ALA 84 N -3.00 0.25 0.00 2.13 0.00 -1.26 -4.93 121.76 114.95 1x57 s ALA 84 Ca 0.70 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1x57 s ALA 84 Cb -0.12 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1x57 s ALA 84 CO 0.56 -0.55 0.00 1.63 0.00 0.00 0.00 175.76 177.41 1x57 n LYS 85 N -0.12 0.00 -0.57 0.00 5.02 -1.26 -4.92 118.16 116.31 1x57 n LYS 85 Ca -0.09 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 1x57 n LYS 85 Cb 0.63 -0.50 0.21 0.00 -0.02 0.00 0.00 35.03 35.34 1x57 n LYS 85 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x57 n SER 86 N 0.87 -2.56 0.00 4.39 3.41 -1.26 -5.00 113.62 113.47 1x57 n SER 86 Ca 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1x57 n SER 86 Cb 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 87 N -3.69 0.56 3.61 5.00 0.00 -1.26 -5.09 105.19 104.33 1x57 n GLY 87 Ca 0.11 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1x57 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 88 N -0.18 0.07 -0.17 1.61 0.04 -1.26 -5.03 135.00 130.08 1x57 s PRO 88 Ca 0.00 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1x57 s PRO 88 Cb 0.00 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1x57 s PRO 88 CO 0.00 -3.03 0.01 0.45 0.04 0.00 0.00 177.00 174.47 1x57 s SER 89 N -3.06 2.67 0.36 6.66 0.15 -1.26 -5.12 113.70 114.10 1x57 s SER 89 Ca 0.66 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 56.38 1x57 s SER 89 Cb -0.21 -0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 63.37 1x57 s SER 89 CO 0.60 -0.26 1.18 -0.55 1.20 0.00 0.00 173.24 175.41 1x57 s SER 90 N 1.83 6.75 0.00 5.45 0.15 -1.26 -5.23 113.70 121.39 1x57 s SER 90 Ca 0.00 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.04 1x57 s SER 90 Cb -0.16 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1x57 s SER 90 CO -0.07 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.46