#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 -1.80 -4.74 1.61 2.88 -1.26 -4.90 113.62 105.41 1x57 n SER 2 Ca 0.00 -0.95 -0.41 0.00 -1.33 0.00 0.00 58.87 56.17 1x57 n SER 2 Cb 0.00 -3.22 -0.02 0.00 -0.75 0.00 0.00 64.21 60.21 1x57 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x57 s SER 3 N -3.95 6.66 0.00 -3.46 0.01 -1.26 -5.00 113.70 106.70 1x57 s SER 3 Ca 0.28 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.20 1x57 s SER 3 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1x57 s SER 3 CO 0.88 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1x57 n GLY 4 N 2.20 1.11 3.25 3.44 0.00 -1.26 -4.78 105.19 109.15 1x57 n GLY 4 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x57 s SER 5 N -1.00 -0.40 -0.02 1.61 0.15 -1.26 -4.83 113.70 107.94 1x57 s SER 5 Ca 0.00 0.92 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 1x57 s SER 5 Cb 0.00 1.53 0.02 0.00 -1.71 0.00 0.00 66.02 65.86 1x57 s SER 5 CO 0.00 -0.25 0.05 -0.94 1.20 0.00 0.00 173.24 173.31 1x57 s SER 6 N 2.67 -0.02 0.00 5.45 1.04 -1.26 -5.15 113.70 116.43 1x57 s SER 6 Ca 0.03 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1x57 s SER 6 Cb -0.13 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1x57 s SER 6 CO -0.15 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1x57 n GLY 7 N 3.53 -0.35 2.76 7.32 0.00 -1.26 -5.07 105.19 112.11 1x57 n GLY 7 Ca -0.19 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.00 1.36 0.18 1.61 2.15 -1.26 -5.16 116.67 111.56 1x57 s ASP 8 Ca 0.00 -0.27 -0.22 0.00 0.43 0.00 0.00 52.55 52.49 1x57 s ASP 8 Cb 0.00 0.45 0.05 0.00 -0.30 0.00 0.00 42.92 43.12 1x57 s ASP 8 CO 0.00 -0.33 0.60 -0.60 -0.17 0.00 0.00 175.17 174.67 1x57 s ARG 9 N 2.34 1.37 0.83 4.34 6.06 -1.26 -5.16 118.95 127.48 1x57 s ARG 9 Ca 0.08 -0.63 -0.13 0.00 -2.50 0.00 0.00 55.73 52.55 1x57 s ARG 9 Cb -0.16 0.58 0.10 0.00 0.06 0.00 0.00 34.95 35.53 1x57 s ARG 9 CO -0.16 -0.60 1.19 0.54 -2.50 0.00 0.00 175.30 173.78 1x57 s VAL 10 N -3.80 2.04 -0.39 7.11 0.11 -1.26 -5.02 120.40 119.18 1x57 s VAL 10 Ca 0.04 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1x57 s VAL 10 Cb -0.02 -2.33 0.06 0.00 -1.53 0.00 0.00 36.38 32.56 1x57 s VAL 10 CO -0.08 -0.01 0.22 0.42 -3.33 0.00 0.00 175.10 172.32 1x57 s THR 11 N -2.26 4.26 0.69 5.04 -4.23 -1.26 -4.99 115.64 112.90 1x57 s THR 11 Ca 0.72 -1.20 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1x57 s THR 11 Cb -0.27 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1x57 s THR 11 CO 0.52 -0.37 1.17 -0.76 -0.54 0.00 0.00 174.62 174.64 1x57 s LEU 12 N 1.46 3.37 0.21 4.79 1.02 -1.26 -4.66 118.68 123.61 1x57 s LEU 12 Ca 0.02 2.24 -0.21 0.00 0.02 0.00 0.00 54.13 56.20 1x57 s LEU 12 Cb -0.21 -4.58 0.15 0.00 0.02 0.00 0.00 46.19 41.57 1x57 s LEU 12 CO 0.04 -1.99 1.55 -0.33 0.02 0.00 0.00 176.35 175.64 1x57 h GLU 13 N -0.09 -0.04 0.61 1.70 5.08 -1.98 0.21 114.58 120.08 1x57 h GLU 13 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1x57 h GLU 13 Cb 1.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x57 h GLU 13 CO 0.52 -0.03 -0.44 0.28 -1.00 0.00 0.00 179.01 178.34 1x57 h VAL 14 N -0.04 0.00 -0.49 3.13 2.07 -1.92 -0.09 116.25 118.91 1x57 h VAL 14 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 1x57 h VAL 14 Cb 0.56 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1x57 h VAL 14 CO -0.92 0.00 0.33 1.23 0.02 0.00 0.00 177.57 178.23 1x57 h GLY 15 N -1.00 0.48 0.74 2.17 0.00 -1.42 0.60 103.07 104.63 1x57 h GLY 15 Ca -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1x57 h GLY 15 CO 0.04 0.11 -0.18 1.70 0.00 0.00 0.00 176.54 178.21 1x57 h LYS 16 N 0.37 -0.49 -0.73 4.80 1.63 -0.34 -0.84 116.57 120.96 1x57 h LYS 16 Ca 0.22 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1x57 h LYS 16 Cb 0.40 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1x57 h LYS 16 CO -0.05 -0.20 0.27 0.28 -3.45 0.00 0.00 179.45 176.30 1x57 h VAL 17 N -0.78 1.25 0.53 2.00 2.07 -0.54 -0.93 116.25 119.84 1x57 h VAL 17 Ca -0.05 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1x57 h VAL 17 Cb 0.52 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1x57 h VAL 17 CO 0.09 0.33 -0.32 0.40 0.02 0.00 0.00 177.57 178.08 1x57 h ILE 18 N 1.07 0.34 -0.22 4.57 2.04 -0.89 0.81 117.51 125.23 1x57 h ILE 18 Ca 0.24 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1x57 h ILE 18 Cb 0.23 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 1x57 h ILE 18 CO -0.02 0.00 -0.25 -0.61 0.00 0.00 0.00 178.15 177.27 1x57 h GLN 19 N -0.80 -0.26 0.43 2.37 4.15 -0.94 -0.34 115.11 119.71 1x57 h GLN 19 Ca -0.06 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1x57 h GLN 19 Cb 0.65 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 1x57 h GLN 19 CO 0.07 -0.18 -0.25 1.96 -1.93 0.00 0.00 178.83 178.50 1x57 h GLN 20 N -0.27 -0.62 0.00 1.69 4.20 -1.02 -0.67 115.11 118.41 1x57 h GLN 20 Ca 0.13 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1x57 h GLN 20 Cb 0.47 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1x57 h GLN 20 CO -0.38 -0.41 -0.28 0.78 -0.67 0.00 0.00 178.83 177.87 1x57 h GLY 21 N -0.64 0.00 0.96 3.46 0.00 -0.58 0.29 103.07 106.56 1x57 h GLY 21 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1x57 h GLY 21 CO 0.06 0.00 -0.46 3.21 0.00 0.00 0.00 176.54 179.35 1x57 h ARG 22 N 0.00 -1.24 0.00 4.80 3.08 -0.98 -3.32 114.38 116.72 1x57 h ARG 22 Ca -0.00 0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1x57 h ARG 22 Cb 0.78 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1x57 h ARG 22 CO 0.04 -0.82 -0.22 -0.56 -1.07 0.00 0.00 179.97 177.33 1x57 h GLN 23 N -1.29 0.00 -0.03 0.04 -0.00 -0.12 0.60 115.11 114.32 1x57 h GLN 23 Ca -0.13 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.53 1x57 h GLN 23 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1x57 h GLN 23 CO 0.22 0.22 0.14 0.77 -0.00 0.00 0.00 178.83 180.18 1x57 h SER 24 N 0.00 0.00 0.00 0.06 0.02 -0.57 -0.87 113.55 112.19 1x57 h SER 24 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x57 h SER 24 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1x57 h SER 24 CO 0.03 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.01 1x57 n LYS 25 N -3.14 2.94 -0.44 3.45 5.02 0.04 -4.99 118.16 121.03 1x57 n LYS 25 Ca -0.02 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 1x57 n LYS 25 Cb 0.21 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.49 1.30 3.78 0.72 0.00 -0.33 -4.98 105.19 105.18 1x57 n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.55 0.50 0.99 1.43 -0.25 -4.84 118.68 120.07 1x57 s LEU 27 Ca 0.00 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1x57 s LEU 27 Cb 0.00 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.68 1x57 s LEU 27 CO 0.00 -1.38 0.72 0.28 0.23 0.00 0.00 176.35 176.20 1x57 s THR 28 N -2.14 3.22 0.31 5.49 -1.32 -1.26 -4.30 115.64 115.65 1x57 s THR 28 Ca 0.69 -0.61 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1x57 s THR 28 Cb -0.21 -3.19 0.31 0.00 -1.51 0.00 0.00 72.50 67.90 1x57 s THR 28 CO 0.35 -0.13 1.77 1.56 -2.21 0.00 0.00 174.62 175.95 1x57 h GLN 29 N 0.22 0.68 -0.75 7.08 7.50 -1.97 -1.84 115.11 126.04 1x57 h GLN 29 Ca -0.44 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 58.64 1x57 h GLN 29 Cb 1.28 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.62 1x57 h GLN 29 CO 0.54 0.45 0.35 0.87 -1.50 0.00 0.00 178.83 179.54 1x57 h LYS 30 N 0.70 1.07 -0.54 1.46 1.57 -1.94 -0.19 116.57 118.70 1x57 h LYS 30 Ca 0.59 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1x57 h LYS 30 Cb 1.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1x57 h LYS 30 CO -0.40 0.83 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.83 1x57 h ASP 31 N 1.06 0.97 0.36 0.86 3.32 -1.73 -1.42 116.42 119.84 1x57 h ASP 31 Ca 0.26 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1x57 h ASP 31 Cb 0.12 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1x57 h ASP 31 CO -0.03 1.07 -0.17 0.25 -1.72 0.00 0.00 179.24 178.63 1x57 h LEU 32 N 0.86 -0.41 -0.23 1.55 7.12 -1.10 -1.72 115.31 121.38 1x57 h LEU 32 Ca 0.15 -0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.17 1x57 h LEU 32 Cb 0.59 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.76 1x57 h LEU 32 CO 0.04 -0.22 -0.43 0.00 -0.13 0.00 0.00 178.44 177.69 1x57 h ALA 33 N 0.03 -0.56 -0.94 1.25 0.00 -0.93 -1.57 119.26 116.55 1x57 h ALA 33 Ca -0.05 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1x57 h ALA 33 Cb 0.43 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1x57 h ALA 33 CO 0.08 -0.92 0.61 1.15 0.00 0.00 0.00 179.25 180.18 1x57 h THR 34 N -0.44 1.11 -0.98 0.00 2.02 -1.27 0.63 112.91 113.98 1x57 h THR 34 Ca 0.09 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1x57 h THR 34 Cb 0.61 -0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 1x57 h THR 34 CO -0.47 0.20 0.64 0.11 0.37 0.00 0.00 175.52 176.38 1x57 h LYS 35 N 1.12 1.20 -0.62 6.66 1.57 -0.34 -2.89 116.57 123.27 1x57 h LYS 35 Ca 0.39 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1x57 h LYS 35 Cb 0.12 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1x57 h LYS 35 CO -0.14 0.80 0.00 0.44 -0.57 0.00 0.00 179.45 179.98 1x57 n ILE 36 N -4.44 1.10 -3.24 1.86 -5.35 -0.78 -4.97 119.36 103.54 1x57 n ILE 36 Ca 0.13 -1.03 -0.16 0.00 -0.27 0.00 0.00 62.75 61.42 1x57 n ILE 36 Cb 0.10 0.45 0.06 0.00 -1.74 0.00 0.00 39.64 38.51 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 1.27 -4.38 -3.00 7.28 5.15 -0.37 -5.03 115.26 116.18 1x57 n ASN 37 Ca 0.21 -0.41 -0.17 0.00 -0.60 0.00 0.00 54.58 53.61 1x57 n ASN 37 Cb 0.60 -3.85 -0.06 0.00 -0.53 0.00 0.00 39.78 35.94 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 -3.68 0.47 -3.48 1.20 1.02 0.07 -4.99 120.64 111.25 1x57 n GLU 38 Ca -0.05 -2.62 -0.35 0.00 -0.02 0.00 0.00 57.16 54.12 1x57 n GLU 38 Cb 0.57 1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 33.73 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 39 N -3.12 3.85 0.00 3.49 -0.14 -1.26 -4.01 119.74 118.56 1x57 s LYS 39 Ca 0.24 0.31 0.17 0.00 -1.36 0.00 0.00 55.97 55.33 1x57 s LYS 39 Cb 0.01 -2.96 0.83 0.00 -1.68 0.00 0.00 37.83 34.04 1x57 s LYS 39 CO 0.17 0.52 1.49 -0.35 -0.76 0.00 0.00 175.35 176.42 1x57 n PRO 40 N 0.82 0.22 0.10 -1.68 -0.04 -1.26 -2.47 135.00 130.68 1x57 n PRO 40 Ca -0.07 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1x57 n PRO 40 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1x57 n PRO 40 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1x57 h GLN 41 N 0.00 -0.17 0.00 0.54 5.75 -1.94 -1.29 115.11 118.00 1x57 h GLN 41 Ca 0.00 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 1x57 h GLN 41 Cb 0.17 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1x57 h GLN 41 CO 0.00 -0.06 -0.44 -0.39 -2.65 0.00 0.00 178.83 175.30 1x57 h VAL 42 N -0.24 1.31 -0.24 2.39 -1.51 -1.91 -2.02 116.25 114.03 1x57 h VAL 42 Ca -0.02 -1.50 -0.03 0.00 -1.23 0.00 0.00 66.70 63.92 1x57 h VAL 42 Cb 0.19 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 1x57 h VAL 42 CO 0.03 0.43 0.05 0.40 -1.23 0.00 0.00 177.57 177.25 1x57 h ILE 43 N 0.00 1.22 -0.62 7.19 1.08 -1.61 0.13 117.51 124.89 1x57 h ILE 43 Ca -0.00 -0.72 0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1x57 h ILE 43 Cb 0.78 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 1x57 h ILE 43 CO 0.06 0.23 0.41 0.00 -0.69 0.00 0.00 178.15 178.16 1x57 h ALA 44 N 0.86 1.62 -0.11 1.87 0.00 -0.96 -1.24 119.26 121.30 1x57 h ALA 44 Ca 0.07 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1x57 h ALA 44 Cb 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x57 h ALA 44 CO 0.00 0.33 -0.76 -0.44 0.00 0.00 0.00 179.25 178.39 1x57 h ASP 45 N 0.78 0.86 -0.49 0.00 5.19 -0.99 -2.92 116.42 118.85 1x57 h ASP 45 Ca 0.24 -0.65 0.08 0.00 -0.62 0.00 0.00 57.03 56.08 1x57 h ASP 45 Cb 0.01 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.19 1x57 h ASP 45 CO -0.06 1.38 0.11 1.88 -3.12 0.00 0.00 179.24 179.43 1x57 h TYR 46 N 0.40 0.17 -0.77 4.55 0.05 -0.42 0.18 116.97 121.13 1x57 h TYR 46 Ca -0.06 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.80 1x57 h TYR 46 Cb 1.40 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.08 1x57 h TYR 46 CO 0.10 0.01 0.47 0.93 -1.05 0.00 0.00 178.16 178.61 1x57 h GLU 47 N 0.24 0.85 0.00 4.88 5.08 -1.21 -2.08 114.58 122.34 1x57 h GLU 47 Ca 0.24 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1x57 h GLU 47 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x57 h GLU 47 CO -0.31 0.56 -0.50 1.03 -1.00 0.00 0.00 179.01 178.79 1x57 h SER 48 N 0.87 0.00 -0.17 1.42 0.87 -1.27 -3.38 113.55 111.89 1x57 h SER 48 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1x57 h SER 48 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1x57 h SER 48 CO -0.16 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 1x57 n GLY 49 N 1.04 0.75 0.00 5.77 0.00 -0.23 -4.64 105.19 107.88 1x57 n GLY 49 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x57 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 n ARG 50 N -0.08 2.78 -2.10 1.61 5.12 0.45 -5.00 116.66 119.44 1x57 n ARG 50 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1x57 n ARG 50 Cb 0.06 -0.76 -0.03 0.00 -1.16 0.00 0.00 32.46 30.57 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 s ALA 51 N -1.10 3.60 -0.36 7.54 0.00 -1.15 -4.90 121.76 125.39 1x57 s ALA 51 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 1x57 s ALA 51 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1x57 s ALA 51 CO 0.00 -0.65 1.76 0.42 0.00 0.00 0.00 175.76 177.28 1x57 s ILE 52 N 0.33 3.52 -0.37 0.00 -1.09 -1.26 -4.82 121.20 117.50 1x57 s ILE 52 Ca 0.60 0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 59.28 1x57 s ILE 52 Cb -0.39 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1x57 s ILE 52 CO 0.38 -0.49 0.92 -2.16 -1.23 0.00 0.00 174.94 172.37 1x57 s PRO 53 N 5.67 3.83 0.23 2.79 0.04 -1.26 -5.00 135.00 141.30 1x57 s PRO 53 Ca 0.77 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1x57 s PRO 53 Cb -0.21 -3.81 -0.09 0.00 0.04 0.00 0.00 34.50 30.44 1x57 s PRO 53 CO 0.33 -0.95 0.91 -0.80 0.04 0.00 0.00 177.00 176.52 1x57 s ASN 54 N 1.89 7.58 0.47 6.66 0.01 -1.26 -4.94 114.94 125.35 1x57 s ASN 54 Ca 0.38 1.88 0.17 0.00 -0.71 0.00 0.00 52.86 54.57 1x57 s ASN 54 Cb -0.12 -2.59 1.13 0.00 0.41 0.00 0.00 41.25 40.08 1x57 s ASN 54 CO 0.19 0.15 2.04 -0.55 -1.51 0.00 0.00 177.10 177.42 1x57 h ASN 55 N 4.12 0.00 0.74 -1.22 7.08 -1.98 0.12 115.58 124.44 1x57 h ASN 55 Ca -0.46 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.73 1x57 h ASN 55 Cb 1.20 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.44 1x57 h ASN 55 CO 0.67 0.14 -0.46 1.56 -2.08 0.00 0.00 177.43 177.27 1x57 h GLN 56 N 0.00 -1.08 -0.27 4.14 4.20 -1.99 0.33 115.11 120.44 1x57 h GLN 56 Ca -0.00 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1x57 h GLN 56 Cb 0.26 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1x57 h GLN 56 CO 0.02 -0.72 0.06 0.28 -0.67 0.00 0.00 178.83 177.80 1x57 h VAL 57 N -1.12 1.22 -0.63 -0.54 2.07 -1.87 -1.64 116.25 113.75 1x57 h VAL 57 Ca -0.10 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.83 1x57 h VAL 57 Cb 0.90 1.17 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 1x57 h VAL 57 CO 0.10 0.23 -0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1x57 h LEU 58 N 0.27 -0.33 -0.68 2.57 3.38 -0.79 0.11 115.31 119.83 1x57 h LEU 58 Ca 0.08 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1x57 h LEU 58 Cb 0.29 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1x57 h LEU 58 CO 0.00 -0.13 0.35 1.23 0.09 0.00 0.00 178.44 179.98 1x57 h GLY 59 N 0.10 1.01 0.99 0.83 0.00 -0.35 0.23 103.07 105.88 1x57 h GLY 59 Ca 0.33 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1x57 h GLY 59 CO -0.56 0.10 0.04 0.50 0.00 0.00 0.00 176.54 176.63 1x57 h LYS 60 N 0.62 0.84 -0.32 4.80 1.57 -0.26 -2.63 116.57 121.20 1x57 h LYS 60 Ca 0.32 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1x57 h LYS 60 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1x57 h LYS 60 CO -0.23 0.85 0.17 0.82 -0.57 0.00 0.00 179.45 180.49 1x57 h ILE 61 N 0.70 1.10 -0.39 1.86 2.04 -0.24 -1.05 117.51 121.54 1x57 h ILE 61 Ca 0.14 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1x57 h ILE 61 Cb 0.45 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1x57 h ILE 61 CO 0.02 0.11 0.24 -0.33 0.00 0.00 0.00 178.15 178.19 1x57 h GLU 62 N 0.44 0.47 -0.99 2.37 5.08 -0.60 -0.97 114.58 120.39 1x57 h GLU 62 Ca 0.11 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1x57 h GLU 62 Cb 0.02 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1x57 h GLU 62 CO -0.02 0.31 0.64 0.00 -1.00 0.00 0.00 179.01 178.94 1x57 h ARG 63 N 0.48 1.18 0.00 2.33 3.08 -1.20 0.24 114.38 120.49 1x57 h ARG 63 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1x57 h ARG 63 Cb -0.02 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1x57 h ARG 63 CO -0.06 0.78 -0.05 0.00 -1.07 0.00 0.00 179.97 179.57 1x57 h ALA 64 N 1.42 1.43 0.00 0.04 0.00 0.07 -3.07 119.26 119.15 1x57 h ALA 64 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1x57 h ALA 64 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x57 h ALA 64 CO -0.14 0.06 -0.22 0.44 0.00 0.00 0.00 179.25 179.39 1x57 n ILE 65 N -3.78 0.00 -2.13 0.00 -5.35 -1.02 -4.93 119.36 102.15 1x57 n ILE 65 Ca -0.03 -0.26 -0.07 0.00 -0.27 0.00 0.00 62.75 62.12 1x57 n ILE 65 Cb 0.15 0.81 -0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 1.06 0.07 3.32 3.28 0.00 0.83 -4.96 105.19 108.79 1x57 n GLY 66 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.14 2.36 0.36 0.99 1.43 -1.15 -2.01 118.68 118.53 1x57 s LEU 67 Ca 0.00 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.70 1x57 s LEU 67 Cb 0.00 -0.38 -0.09 0.00 0.03 0.00 0.00 46.19 45.75 1x57 s LEU 67 CO 0.00 -0.40 1.10 -0.54 0.23 0.00 0.00 176.35 176.74 1x57 s LYS 68 N -3.79 4.28 0.00 1.70 1.02 0.11 -4.30 119.74 118.75 1x57 s LYS 68 Ca 0.25 1.70 0.01 0.00 0.02 0.00 0.00 55.97 57.95 1x57 s LYS 68 Cb 0.04 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1x57 s LYS 68 CO 0.07 -0.09 0.97 1.28 -0.92 0.00 0.00 175.35 176.66 1x57 n LEU 69 N 0.36 1.98 -3.74 3.17 7.99 -1.26 -0.75 117.00 124.75 1x57 n LEU 69 Ca 0.03 -1.88 -0.16 0.00 -0.01 0.00 0.00 56.01 53.99 1x57 n LEU 69 Cb 0.47 -0.02 -0.16 0.00 -0.11 0.00 0.00 43.42 43.60 1x57 n LEU 69 CO 0.50 0.49 -0.31 -0.13 -1.51 0.00 0.00 177.39 176.43 1x57 s ARG 70 N -0.89 -0.01 0.00 3.23 0.52 -1.26 -4.84 118.95 115.70 1x57 s ARG 70 Ca 0.02 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1x57 s ARG 70 Cb 0.01 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.20 1x57 s ARG 70 CO 0.02 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1x57 n GLY 71 N 4.46 -0.69 0.10 -3.53 0.00 -1.26 -4.42 105.19 99.85 1x57 n GLY 71 Ca -0.22 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1x57 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x57 n LYS 72 N -0.67 0.11 -0.68 1.61 2.85 -1.26 -2.03 118.16 118.09 1x57 n LYS 72 Ca 0.00 0.49 -0.01 0.00 -1.05 0.00 0.00 58.31 57.74 1x57 n LYS 72 Cb 0.00 -1.78 0.23 0.00 -0.65 0.00 0.00 35.03 32.83 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x57 n ASP 73 N -2.00 4.03 -4.62 -5.58 8.00 -1.26 -4.99 116.55 110.13 1x57 n ASP 73 Ca 0.01 -2.76 -0.38 0.00 0.71 0.00 0.00 54.79 52.37 1x57 n ASP 73 Cb 0.11 -0.66 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x57 n ILE 74 N 0.13 3.66 0.00 0.53 3.06 -0.86 -2.44 119.36 123.44 1x57 n ILE 74 Ca 0.25 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 1x57 n ILE 74 Cb 1.01 -1.17 0.00 0.00 0.54 0.00 0.00 39.64 40.02 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 1.26 2.49 3.77 4.50 0.00 0.07 -4.92 105.19 112.36 1x57 n GLY 75 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.89 0.57 1.61 -0.14 -1.02 -4.60 119.74 120.04 1x57 s LYS 76 Ca 0.00 1.95 -0.19 0.00 -1.36 0.00 0.00 55.97 56.37 1x57 s LYS 76 Cb 0.00 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.50 1x57 s LYS 76 CO 0.00 -0.49 1.13 -1.25 -0.76 0.00 0.00 175.35 173.99 1x57 s PRO 77 N -2.42 3.23 0.01 -1.68 0.04 -1.26 0.08 135.00 133.00 1x57 s PRO 77 Ca 0.60 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1x57 s PRO 77 Cb -0.33 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1x57 s PRO 77 CO 0.41 -0.94 0.15 0.96 0.04 0.00 0.00 177.00 177.62 1x57 s ILE 78 N -1.84 5.17 -1.18 0.56 -4.36 -0.85 -4.64 121.20 114.06 1x57 s ILE 78 Ca 0.72 -0.32 -0.25 0.00 -0.26 0.00 0.00 60.65 60.55 1x57 s ILE 78 Cb -0.24 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 40.05 1x57 s ILE 78 CO 0.30 0.28 0.74 -0.62 0.24 0.00 0.00 174.94 175.87 1x57 n GLU 79 N 0.84 -0.96 -3.94 0.37 1.02 -1.26 -4.92 120.64 111.79 1x57 n GLU 79 Ca -0.10 0.32 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 1x57 n GLU 79 Cb 0.52 -3.60 -0.15 0.00 -0.02 0.00 0.00 31.44 28.19 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 80 N -6.50 1.59 0.00 3.49 1.02 -1.26 -5.06 119.74 113.01 1x57 s LYS 80 Ca 0.46 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1x57 s LYS 80 Cb -0.20 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1x57 s LYS 80 CO 0.90 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1x57 n GLY 81 N 4.62 -0.25 3.42 -3.33 0.00 -1.26 -5.10 105.19 103.30 1x57 n GLY 81 Ca -0.10 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.00 -1.59 -0.06 1.61 0.04 -1.26 -5.09 135.00 126.65 1x57 s PRO 82 Ca 0.00 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.58 1x57 s PRO 82 Cb 0.00 -1.49 0.03 0.00 0.04 0.00 0.00 34.50 33.08 1x57 s PRO 82 CO 0.00 -4.13 0.33 0.50 0.04 0.00 0.00 177.00 173.74 1x57 s ARG 83 N -4.54 0.56 0.06 4.56 3.52 -1.26 -5.04 118.95 116.81 1x57 s ARG 83 Ca 0.69 0.10 -0.18 0.00 -0.13 0.00 0.00 55.73 56.20 1x57 s ARG 83 Cb -0.23 0.26 -0.12 0.00 -1.56 0.00 0.00 34.95 33.30 1x57 s ARG 83 CO 0.64 -0.13 1.38 0.00 -0.81 0.00 0.00 175.30 176.39 1x57 h ALA 84 N 4.59 0.29 -2.80 6.12 0.00 -2.05 -3.48 119.26 121.93 1x57 h ALA 84 Ca -0.28 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.31 1x57 h ALA 84 Cb 1.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1x57 h ALA 84 CO 0.35 0.20 0.33 1.17 0.00 0.00 0.00 179.25 181.30 1x57 n LYS 85 N -4.47 0.93 0.00 0.00 4.81 -1.26 -5.07 118.16 113.10 1x57 n LYS 85 Ca -0.05 -1.88 0.00 0.00 -0.87 0.00 0.00 58.31 55.51 1x57 n LYS 85 Cb 0.38 2.38 0.00 0.00 0.02 0.00 0.00 35.03 37.82 1x57 n LYS 85 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x57 n SER 86 N -1.43 0.33 0.00 3.14 7.64 -1.26 -5.14 113.62 116.91 1x57 n SER 86 Ca -0.07 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1x57 n SER 86 Cb 0.55 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 87 N 0.05 -1.07 3.75 0.23 0.00 -1.26 -5.10 105.19 101.80 1x57 n GLY 87 Ca 0.00 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.60 3.31 -0.09 1.61 0.04 -1.26 -5.04 135.00 131.98 1x57 s PRO 88 Ca 0.00 2.19 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 1x57 s PRO 88 Cb 0.00 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1x57 s PRO 88 CO 0.00 -1.04 0.14 -1.12 0.04 0.00 0.00 177.00 175.03 1x57 s SER 89 N -0.96 0.90 0.00 6.66 0.01 -1.26 -5.02 113.70 114.04 1x57 s SER 89 Ca 0.69 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1x57 s SER 89 Cb -0.39 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1x57 s SER 89 CO 0.47 -0.25 0.33 -0.24 0.41 0.00 0.00 173.24 173.95 1x57 n SER 90 N 5.32 0.54 0.00 2.44 2.88 -1.26 -5.24 113.62 118.30 1x57 n SER 90 Ca -0.04 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1x57 n SER 90 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42