#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y50 s GLU 3 N 0.00 0.11 -0.07 0.00 2.12 -1.26 -5.09 118.70 114.50 1y50 s GLU 3 Ca 0.00 0.18 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 1y50 s GLU 3 Cb 0.00 0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.41 1y50 s GLU 3 CO 0.00 -0.05 0.20 0.21 -0.54 0.00 0.00 175.26 175.08 1y50 s LYS 4 N 0.28 0.23 -0.19 4.30 2.20 -1.26 -5.14 119.74 120.16 1y50 s LYS 4 Ca -0.02 0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 1y50 s LYS 4 Cb -0.03 0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1y50 s LYS 4 CO -0.01 -0.04 0.11 0.99 -0.36 0.00 0.00 175.35 176.04 1y50 s THR 5 N 0.18 5.19 0.04 3.43 2.01 -1.26 -5.10 115.64 120.13 1y50 s THR 5 Ca -0.01 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.18 1y50 s THR 5 Cb -0.02 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1y50 s THR 5 CO -0.00 0.46 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.82 1y50 s PHE 6 N 0.27 2.49 -0.18 4.92 0.40 -1.26 -5.12 117.98 119.51 1y50 s PHE 6 Ca 0.07 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1y50 s PHE 6 Cb -0.11 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1y50 s PHE 6 CO -0.01 0.21 0.21 0.21 0.70 0.00 0.00 175.22 176.54 1y50 s LYS 7 N -1.35 4.19 -0.04 0.44 2.47 -1.26 -5.08 119.74 119.12 1y50 s LYS 7 Ca 0.14 -0.06 -0.30 0.00 -1.56 0.00 0.00 55.97 54.19 1y50 s LYS 7 Cb -0.10 -3.41 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1y50 s LYS 7 CO 0.04 0.29 1.17 0.08 0.16 0.00 0.00 175.35 177.09 1y50 s VAL 8 N 0.35 4.30 -0.17 4.02 1.01 -1.26 -4.94 120.40 123.70 1y50 s VAL 8 Ca 0.13 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1y50 s VAL 8 Cb -0.12 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1y50 s VAL 8 CO 0.01 0.03 0.17 1.33 0.00 0.00 0.00 175.10 176.64 1y50 n VAL 9 N 4.45 0.00 -2.09 2.92 0.24 -1.26 -5.01 118.33 117.58 1y50 n VAL 9 Ca 0.10 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 1y50 n VAL 9 Cb 0.47 0.94 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 1y50 n VAL 9 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1y50 s SER 10 N -1.51 6.74 0.22 -1.34 0.15 -1.26 -4.91 113.70 111.79 1y50 s SER 10 Ca 0.01 2.36 -0.09 0.00 0.70 0.00 0.00 55.95 58.93 1y50 s SER 10 Cb 0.03 -2.58 0.33 0.00 -1.71 0.00 0.00 66.02 62.09 1y50 s SER 10 CO 0.17 -0.75 1.68 0.44 1.20 0.00 0.00 173.24 175.98 1y50 h ASP 11 N 7.43 -0.13 0.28 5.45 3.32 -2.06 0.46 116.42 131.18 1y50 h ASP 11 Ca -0.41 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1y50 h ASP 11 Cb 1.20 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1y50 h ASP 11 CO 0.90 -0.06 0.00 -0.24 -1.72 0.00 0.00 179.24 178.12 1y50 n SER 12 N -5.21 0.17 0.00 6.45 2.88 -1.26 -5.00 113.62 111.65 1y50 n SER 12 Ca 0.10 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1y50 n SER 12 Cb 0.37 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1y50 n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y50 n GLY 13 N -0.73 0.49 3.13 0.46 0.00 0.16 -4.51 105.19 104.20 1y50 n GLY 13 Ca 0.01 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1y50 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y50 s ILE 14 N 0.00 2.82 0.00 -0.61 1.01 -1.26 -4.69 121.20 118.47 1y50 s ILE 14 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.00 1y50 s ILE 14 Cb 0.00 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1y50 s ILE 14 CO 0.00 -0.25 0.00 1.41 0.00 0.00 0.00 174.94 176.10 1y50 n HIS 15 N 4.54 -2.62 -0.27 3.97 8.25 -1.26 -4.87 115.22 122.97 1y50 n HIS 15 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 1y50 n HIS 15 Cb 0.43 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.60 1y50 n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y50 h ALA 16 N -0.24 0.94 0.76 -1.41 0.00 -1.99 -0.01 119.26 117.31 1y50 h ALA 16 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1y50 h ALA 16 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1y50 h ALA 16 CO 0.00 0.39 -0.36 -0.09 0.00 0.00 0.00 179.25 179.19 1y50 h ARG 17 N 1.01 -0.98 0.00 0.00 2.43 -1.99 0.56 114.38 115.40 1y50 h ARG 17 Ca 0.27 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1y50 h ARG 17 Cb -0.06 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1y50 h ARG 17 CO -0.05 -0.65 -0.07 -1.00 -1.51 0.00 0.00 179.97 176.68 1y50 h PRO 18 N -1.09 0.00 0.00 0.20 0.13 -1.96 -1.91 132.00 127.38 1y50 h PRO 18 Ca -0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 1y50 h PRO 18 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1y50 h PRO 18 CO 0.17 0.07 -0.28 0.00 -0.23 0.00 0.00 178.00 177.73 1y50 h ALA 19 N 1.93 1.05 -0.20 -0.56 0.00 -0.84 -1.32 119.26 119.33 1y50 h ALA 19 Ca -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1y50 h ALA 19 Cb 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1y50 h ALA 19 CO 0.01 0.35 -0.65 1.15 0.00 0.00 0.00 179.25 180.11 1y50 h THR 20 N 0.00 1.29 -0.27 0.00 2.02 -0.08 -1.35 112.91 114.51 1y50 h THR 20 Ca -0.00 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1y50 h THR 20 Cb 0.77 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1y50 h THR 20 CO 0.04 0.59 0.05 0.40 0.37 0.00 0.00 175.52 176.97 1y50 h ILE 21 N 0.53 1.22 -0.11 3.11 2.04 -1.15 -1.26 117.51 121.89 1y50 h ILE 21 Ca -0.03 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1y50 h ILE 21 Cb 1.28 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1y50 h ILE 21 CO 0.14 0.24 -0.16 0.25 0.00 0.00 0.00 178.15 178.63 1y50 h LEU 22 N 0.27 -0.48 -1.30 1.44 5.85 -1.30 -1.31 115.31 118.47 1y50 h LEU 22 Ca 0.08 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1y50 h LEU 22 Cb 0.31 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1y50 h LEU 22 CO 0.00 -0.20 0.52 0.58 -0.34 0.00 0.00 178.44 179.00 1y50 h VAL 23 N -0.20 1.00 0.00 1.05 2.07 -1.13 -1.80 116.25 117.23 1y50 h VAL 23 Ca 0.09 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 1y50 h VAL 23 Cb 0.33 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1y50 h VAL 23 CO -0.23 0.15 -0.78 1.56 0.02 0.00 0.00 177.57 178.29 1y50 h GLN 24 N 0.81 0.00 -0.10 1.57 1.08 -0.87 -2.30 115.11 115.31 1y50 h GLN 24 Ca 0.36 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1y50 h GLN 24 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1y50 h GLN 24 CO -0.13 0.78 0.03 1.15 -0.95 0.00 0.00 178.83 179.71 1y50 h THR 25 N 0.00 0.98 -0.70 -0.54 2.02 -0.79 -3.09 112.91 110.79 1y50 h THR 25 Ca -0.01 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1y50 h THR 25 Cb 1.55 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 1y50 h THR 25 CO 0.10 0.02 0.40 0.00 0.37 0.00 0.00 175.52 176.41 1y50 h ALA 26 N 1.06 0.94 0.00 6.16 0.00 -1.25 -2.74 119.26 123.42 1y50 h ALA 26 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y50 h ALA 26 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y50 h ALA 26 CO -0.04 0.10 -0.01 0.66 0.00 0.00 0.00 179.25 179.96 1y50 h SER 27 N 0.75 0.00 0.33 0.00 4.64 -1.37 -2.66 113.55 115.23 1y50 h SER 27 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1y50 h SER 27 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1y50 h SER 27 CO -0.17 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.09 1y50 n LYS 28 N -3.33 0.03 -4.46 4.77 5.02 -1.03 -4.81 118.16 114.36 1y50 n LYS 28 Ca -0.03 0.29 -0.25 0.00 -2.02 0.00 0.00 58.31 56.31 1y50 n LYS 28 Cb 0.10 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.48 1y50 n LYS 28 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1y50 s TRP 29 N -2.91 1.84 -0.61 2.13 0.52 -1.01 -5.04 118.94 113.86 1y50 s TRP 29 Ca 0.06 -0.40 0.24 0.00 0.02 0.00 0.00 56.10 56.03 1y50 s TRP 29 Cb 0.07 -1.05 0.42 0.00 -1.15 0.00 0.00 33.47 31.76 1y50 s TRP 29 CO 0.19 0.16 1.42 -2.95 0.02 0.00 0.00 176.95 175.79 1y50 h ASN 30 N 4.42 0.00 -4.05 2.95 -1.07 -1.87 -3.47 115.58 112.49 1y50 h ASN 30 Ca -0.45 -0.12 -0.50 0.00 0.07 0.00 0.00 56.30 55.30 1y50 h ASN 30 Cb 1.17 0.00 0.18 0.00 -2.07 0.00 0.00 38.32 37.60 1y50 h ASN 30 CO 0.41 0.06 0.20 -0.44 0.07 0.00 0.00 177.43 177.73 1y50 s SER 31 N -4.57 2.81 -0.27 6.14 0.01 -1.26 -4.95 113.70 111.60 1y50 s SER 31 Ca 0.07 1.92 -0.28 0.00 1.31 0.00 0.00 55.95 58.96 1y50 s SER 31 Cb 0.12 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.90 1y50 s SER 31 CO 0.69 -3.13 1.01 -0.70 0.41 0.00 0.00 173.24 171.53 1y50 s GLU 32 N -4.68 4.15 -0.18 12.44 2.12 -1.26 -5.03 118.70 126.26 1y50 s GLU 32 Ca 0.66 1.13 -0.02 0.00 0.36 0.00 0.00 54.97 57.10 1y50 s GLU 32 Cb -0.22 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1y50 s GLU 32 CO 0.59 -0.73 -0.10 0.42 -0.54 0.00 0.00 175.26 174.90 1y50 s ILE 33 N 3.31 3.04 0.12 -3.70 1.01 -1.26 -5.09 121.20 118.63 1y50 s ILE 33 Ca 0.42 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.55 1y50 s ILE 33 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1y50 s ILE 33 CO 0.10 0.48 -0.26 -1.10 0.00 0.00 0.00 174.94 174.16 1y50 s GLN 34 N 1.03 1.47 -0.12 2.79 -0.21 -1.26 -0.86 119.66 122.50 1y50 s GLN 34 Ca -0.01 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 54.09 1y50 s GLN 34 Cb -0.15 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 31.95 1y50 s GLN 34 CO -0.02 0.46 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.24 1y50 s LEU 35 N -2.00 1.98 -0.18 2.90 2.96 -0.38 -4.80 118.68 119.16 1y50 s LEU 35 Ca 0.14 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1y50 s LEU 35 Cb -0.10 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 1y50 s LEU 35 CO 0.06 0.08 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.40 1y50 s GLU 36 N 0.72 3.41 -0.12 1.98 2.12 -1.26 -1.01 118.70 124.52 1y50 s GLU 36 Ca -0.11 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 1y50 s GLU 36 Cb -0.16 -2.86 0.09 0.00 0.26 0.00 0.00 34.13 31.46 1y50 s GLU 36 CO 0.02 -0.00 0.79 -0.47 -0.54 0.00 0.00 175.26 175.05 1y50 s TYR 37 N 0.95 -0.59 -1.46 5.30 5.04 0.57 -4.97 117.35 122.18 1y50 s TYR 37 Ca -0.01 1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 55.65 1y50 s TYR 37 Cb -0.15 0.40 0.06 0.00 0.35 0.00 0.00 41.96 42.62 1y50 s TYR 37 CO 0.00 -0.48 0.82 -1.71 -1.34 0.00 0.00 175.55 172.83 1y50 n ASN 38 N 1.20 -3.04 -0.20 4.32 5.15 -1.26 -1.31 115.26 120.13 1y50 n ASN 38 Ca -0.16 -0.84 -0.03 0.00 -0.60 0.00 0.00 54.58 52.96 1y50 n ASN 38 Cb 0.57 -3.75 -0.01 0.00 -0.53 0.00 0.00 39.78 36.05 1y50 n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y50 n GLY 39 N -1.67 0.48 3.10 8.20 0.00 -1.26 -4.99 105.19 109.06 1y50 n GLY 39 Ca -0.10 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1y50 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y50 s LYS 40 N -1.48 0.95 -0.18 1.61 2.20 -0.43 -5.13 119.74 117.29 1y50 s LYS 40 Ca 0.00 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1y50 s LYS 40 Cb 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 1y50 s LYS 40 CO 0.00 0.24 -0.14 0.99 -0.36 0.00 0.00 175.35 176.09 1y50 s THR 41 N -0.53 2.70 0.36 3.43 2.01 -1.26 -0.31 115.64 122.04 1y50 s THR 41 Ca 0.03 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1y50 s THR 41 Cb -0.06 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 1y50 s THR 41 CO 0.00 0.50 -0.01 0.68 -0.69 0.00 0.00 174.62 175.10 1y50 s VAL 42 N 1.08 1.86 -0.10 3.82 -7.23 -0.18 -4.96 120.40 114.68 1y50 s VAL 42 Ca -0.00 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.81 1y50 s VAL 42 Cb -0.14 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1y50 s VAL 42 CO -0.04 -0.08 1.16 0.21 -0.31 0.00 0.00 175.10 176.04 1y50 s ASN 43 N -3.62 7.07 0.27 4.85 3.84 -1.26 -1.25 114.94 124.84 1y50 s ASN 43 Ca 0.34 1.69 0.25 0.00 0.21 0.00 0.00 52.86 55.36 1y50 s ASN 43 Cb 0.07 -2.55 0.92 0.00 -0.55 0.00 0.00 41.25 39.14 1y50 s ASN 43 CO 0.16 -0.60 1.75 0.25 -2.79 0.00 0.00 177.10 175.87 1y50 h LEU 44 N 8.59 0.00 -0.11 3.21 5.85 -1.31 -2.49 115.31 129.05 1y50 h LEU 44 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1y50 h LEU 44 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1y50 h LEU 44 CO 0.90 0.00 -0.06 0.29 -0.34 0.00 0.00 178.44 179.23 1y50 n LYS 45 N -2.34 0.56 -3.97 1.25 5.02 -1.26 -4.32 118.16 113.10 1y50 n LYS 45 Ca 0.03 -0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 1y50 n LYS 45 Cb 0.32 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 1y50 n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y50 s SER 46 N -2.52 4.76 0.43 4.39 0.15 -0.94 -4.89 113.70 115.09 1y50 s SER 46 Ca 0.29 -1.51 0.13 0.00 0.70 0.00 0.00 55.95 55.56 1y50 s SER 46 Cb 0.20 -1.66 0.95 0.00 -1.71 0.00 0.00 66.02 63.81 1y50 s SER 46 CO 0.47 -0.28 1.98 -0.29 1.20 0.00 0.00 173.24 176.32 1y50 h ILE 47 N 6.58 1.14 -0.62 6.45 6.09 -1.84 -1.80 117.51 133.51 1y50 h ILE 47 Ca -0.17 -0.62 -0.08 0.00 -1.37 0.00 0.00 64.86 62.62 1y50 h ILE 47 Cb 1.05 1.26 -0.03 0.00 0.47 0.00 0.00 36.82 39.58 1y50 h ILE 47 CO 0.52 0.18 0.08 0.24 -3.07 0.00 0.00 178.15 176.11 1y50 h MET 48 N 0.07 1.01 0.08 2.19 2.86 -1.94 0.37 114.93 119.59 1y50 h MET 48 Ca 0.01 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1y50 h MET 48 Cb 0.31 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1y50 h MET 48 CO 0.02 0.95 -0.18 0.78 1.06 0.00 0.00 176.91 179.54 1y50 h GLY 49 N 1.03 -0.30 1.00 8.32 0.00 -1.65 -2.79 103.07 108.68 1y50 h GLY 49 Ca 0.19 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1y50 h GLY 49 CO 0.01 -0.17 0.42 -2.08 0.00 0.00 0.00 176.54 174.72 1y50 h VAL 50 N -0.33 1.20 0.00 4.60 2.07 -1.07 -2.14 116.25 120.58 1y50 h VAL 50 Ca 0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1y50 h VAL 50 Cb 0.36 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1y50 h VAL 50 CO -0.11 0.21 0.00 0.23 0.02 0.00 0.00 177.57 177.92 1y50 n MET 51 N -4.54 0.93 -0.39 1.57 2.81 0.09 -2.94 117.12 114.65 1y50 n MET 51 Ca 0.06 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.03 1y50 n MET 51 Cb 0.06 -1.14 0.24 0.00 -0.71 0.00 0.00 33.22 31.67 1y50 n MET 51 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1y50 n SER 52 N -0.64 3.66 0.08 7.83 3.41 -0.80 -4.59 113.62 122.57 1y50 n SER 52 Ca 0.06 -2.91 -0.03 0.00 -0.26 0.00 0.00 58.87 55.73 1y50 n SER 52 Cb 0.03 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1y50 n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1y50 h LEU 53 N 1.67 0.00 0.00 1.04 -0.00 -1.65 -3.50 115.31 112.88 1y50 h LEU 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1y50 h LEU 53 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1y50 h LEU 53 CO 0.18 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 179.98 1y50 n GLY 54 N 1.32 -1.70 3.71 0.83 0.00 -1.26 -4.84 105.19 103.25 1y50 n GLY 54 Ca -0.02 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1y50 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y50 s ILE 55 N 0.00 5.31 0.54 -0.61 1.01 -1.26 -5.09 121.20 121.11 1y50 s ILE 55 Ca 0.00 0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1y50 s ILE 55 Cb 0.00 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1y50 s ILE 55 CO 0.00 0.37 1.00 -2.16 0.00 0.00 0.00 174.94 174.14 1y50 s PRO 56 N 0.69 3.85 0.22 2.79 0.04 -1.26 -5.00 135.00 136.34 1y50 s PRO 56 Ca 0.14 0.90 -0.32 0.00 0.04 0.00 0.00 61.00 61.76 1y50 s PRO 56 Cb -0.13 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 1y50 s PRO 56 CO 0.04 -0.35 1.55 1.17 0.04 0.00 0.00 177.00 179.45 1y50 n LYS 57 N -1.89 2.35 0.00 4.56 4.81 -1.26 -1.84 118.16 124.89 1y50 n LYS 57 Ca 0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1y50 n LYS 57 Cb 0.54 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1y50 n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y50 n GLY 58 N 2.82 0.83 3.77 3.14 0.00 -1.26 -5.07 105.19 109.42 1y50 n GLY 58 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1y50 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y50 s ALA 59 N -2.22 3.30 -0.24 4.61 0.00 -0.77 -5.01 121.76 121.43 1y50 s ALA 59 Ca 0.00 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1y50 s ALA 59 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1y50 s ALA 59 CO 0.00 -0.91 0.13 0.99 0.00 0.00 0.00 175.76 175.97 1y50 s THR 60 N -1.23 4.97 0.19 0.00 2.01 -1.26 -5.06 115.64 115.26 1y50 s THR 60 Ca 0.57 0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.73 1y50 s THR 60 Cb -0.40 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1y50 s THR 60 CO 0.52 0.34 -0.24 0.27 -0.69 0.00 0.00 174.62 174.82 1y50 s ILE 61 N 1.26 2.33 -0.15 1.82 -4.36 -1.26 -5.12 121.20 115.72 1y50 s ILE 61 Ca 0.06 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1y50 s ILE 61 Cb -0.14 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.49 1y50 s ILE 61 CO 0.05 -0.11 -0.08 -0.75 0.24 0.00 0.00 174.94 174.29 1y50 s LYS 62 N -2.64 1.68 -0.10 0.37 2.20 -1.26 -5.11 119.74 114.87 1y50 s LYS 62 Ca 0.20 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1y50 s LYS 62 Cb -0.08 -1.93 -0.03 0.00 -1.51 0.00 0.00 37.83 34.27 1y50 s LYS 62 CO 0.10 -0.34 -0.00 0.42 -0.36 0.00 0.00 175.35 175.16 1y50 s ILE 63 N 1.61 4.26 0.01 5.43 1.01 -1.26 -5.11 121.20 127.14 1y50 s ILE 63 Ca 0.03 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1y50 s ILE 63 Cb -0.14 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1y50 s ILE 63 CO -0.08 0.58 -0.18 0.42 0.00 0.00 0.00 174.94 175.67 1y50 s THR 64 N -0.58 1.45 -0.05 2.92 -4.23 -1.26 -5.14 115.64 108.75 1y50 s THR 64 Ca 0.10 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1y50 s THR 64 Cb -0.12 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.51 1y50 s THR 64 CO 0.02 0.28 -0.05 0.00 -0.54 0.00 0.00 174.62 174.33 1y50 s ALA 65 N -0.60 0.73 -0.07 3.99 0.00 -1.26 -5.10 121.76 119.44 1y50 s ALA 65 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1y50 s ALA 65 Cb -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1y50 s ALA 65 CO 0.00 -0.00 -0.02 -1.21 0.00 0.00 0.00 175.76 174.53 1y50 s GLU 66 N 0.89 0.79 0.00 0.00 0.41 -1.26 -4.90 118.70 114.63 1y50 s GLU 66 Ca -0.11 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1y50 s GLU 66 Cb -0.14 -1.05 0.00 0.00 -1.78 0.00 0.00 34.13 31.16 1y50 s GLU 66 CO 0.00 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 1y50 n GLY 67 N 4.94 -0.74 0.22 -1.39 0.00 -1.26 -4.92 105.19 102.04 1y50 n GLY 67 Ca -0.11 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1y50 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y50 h ALA 68 N 0.00 1.39 -0.61 4.61 0.00 -2.07 -2.82 119.26 119.76 1y50 h ALA 68 Ca 0.00 -0.22 -0.44 0.00 0.00 0.00 0.00 54.91 54.24 1y50 h ALA 68 Cb 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.42 1y50 h ALA 68 CO 0.00 0.31 -0.66 -0.40 0.00 0.00 0.00 179.25 178.50 1y50 n ASP 69 N -3.96 4.38 -0.16 0.00 5.68 -1.26 -4.84 116.55 116.39 1y50 n ASP 69 Ca -0.02 -3.78 -0.09 0.00 -0.50 0.00 0.00 54.79 50.40 1y50 n ASP 69 Cb 0.32 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1y50 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y50 h ALA 70 N 1.92 0.60 -0.80 2.12 0.00 -1.84 0.63 119.26 121.89 1y50 h ALA 70 Ca 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1y50 h ALA 70 Cb 1.41 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1y50 h ALA 70 CO 0.65 0.26 0.45 0.00 0.00 0.00 0.00 179.25 180.61 1y50 h ALA 71 N 0.99 1.30 -0.22 0.00 0.00 -1.88 0.13 119.26 119.58 1y50 h ALA 71 Ca 0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1y50 h ALA 71 Cb 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1y50 h ALA 71 CO -0.00 0.58 -0.30 0.93 0.00 0.00 0.00 179.25 180.46 1y50 h GLU 72 N 1.11 0.59 0.01 0.00 5.08 -1.81 -2.49 114.58 117.07 1y50 h GLU 72 Ca 0.28 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1y50 h GLU 72 Cb -0.00 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1y50 h GLU 72 CO -0.05 0.95 -0.37 0.00 -1.00 0.00 0.00 179.01 178.54 1y50 h ALA 73 N 0.63 -0.58 -0.85 3.43 0.00 -0.61 -1.09 119.26 120.20 1y50 h ALA 73 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1y50 h ALA 73 Cb 0.88 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1y50 h ALA 73 CO 0.07 -0.90 0.49 0.52 0.00 0.00 0.00 179.25 179.44 1y50 h MET 74 N -0.53 1.16 -0.65 0.00 2.86 -0.96 -1.29 114.93 115.52 1y50 h MET 74 Ca 0.05 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1y50 h MET 74 Cb 0.61 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1y50 h MET 74 CO -0.29 0.83 0.13 0.00 1.06 0.00 0.00 176.91 178.64 1y50 h ALA 75 N 1.27 0.85 -0.30 6.32 0.00 -1.32 0.94 119.26 127.02 1y50 h ALA 75 Ca 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1y50 h ALA 75 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1y50 h ALA 75 CO -0.05 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1y50 h ALA 76 N 1.05 0.40 -0.37 0.00 0.00 -0.83 -0.36 119.26 119.15 1y50 h ALA 76 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1y50 h ALA 76 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1y50 h ALA 76 CO 0.01 0.06 -0.09 -0.07 0.00 0.00 0.00 179.25 179.16 1y50 h LEU 77 N 0.33 0.71 -0.39 0.00 3.38 -1.11 0.04 115.31 118.28 1y50 h LEU 77 Ca 0.10 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1y50 h LEU 77 Cb 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1y50 h LEU 77 CO 0.00 0.91 0.14 0.74 0.09 0.00 0.00 178.44 180.33 1y50 h THR 78 N 0.51 0.90 -0.87 0.22 2.02 -0.77 -1.73 112.91 113.18 1y50 h THR 78 Ca 0.09 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1y50 h THR 78 Cb 0.60 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1y50 h THR 78 CO 0.04 0.06 0.43 0.44 0.37 0.00 0.00 175.52 176.86 1y50 h ASP 79 N 0.31 1.13 -0.45 4.18 3.32 -0.51 -2.30 116.42 122.10 1y50 h ASP 79 Ca 0.18 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1y50 h ASP 79 Cb 0.15 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1y50 h ASP 79 CO -0.17 0.94 0.16 0.74 -1.72 0.00 0.00 179.24 179.18 1y50 h THR 80 N 1.24 1.21 -0.52 0.35 2.02 -0.81 0.81 112.91 117.21 1y50 h THR 80 Ca 0.30 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1y50 h THR 80 Cb 0.10 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1y50 h THR 80 CO -0.04 0.25 0.16 -0.07 0.37 0.00 0.00 175.52 176.19 1y50 h LEU 81 N 0.58 0.71 0.04 2.58 3.38 -1.08 -1.69 115.31 119.83 1y50 h LEU 81 Ca 0.15 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1y50 h LEU 81 Cb 0.23 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1y50 h LEU 81 CO -0.01 0.67 -0.29 0.00 0.09 0.00 0.00 178.44 178.91 1y50 h ALA 82 N 1.43 -0.02 -0.63 1.53 0.00 -1.35 0.18 119.26 120.39 1y50 h ALA 82 Ca 0.17 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.67 1y50 h ALA 82 Cb 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1y50 h ALA 82 CO -0.01 0.12 0.04 0.87 0.00 0.00 0.00 179.25 180.27 1y50 h LYS 83 N -0.70 0.15 -0.08 0.00 1.57 -0.82 -0.78 116.57 115.91 1y50 h LYS 83 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1y50 h LYS 83 Cb 1.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1y50 h LYS 83 CO 0.05 0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1y50 n GLU 84 N -5.24 1.32 -2.91 3.15 -0.58 -0.64 -4.90 120.64 110.84 1y50 n GLU 84 Ca 0.10 -0.48 -0.22 0.00 -0.42 0.00 0.00 57.16 56.13 1y50 n GLU 84 Cb 0.36 -1.31 0.03 0.00 -0.57 0.00 0.00 31.44 29.95 1y50 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y50 n GLY 85 N 0.91 -0.52 0.11 0.62 0.00 -0.30 -4.93 105.19 101.08 1y50 n GLY 85 Ca 0.14 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1y50 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y50 n LEU 86 N -3.85 1.90 -3.64 0.99 4.32 0.56 -5.02 117.00 112.25 1y50 n LEU 86 Ca -0.14 0.41 -0.13 0.00 -0.02 0.00 0.00 56.01 56.13 1y50 n LEU 86 Cb 0.63 -0.87 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1y50 n LEU 86 CO 0.44 0.23 0.18 0.00 -1.22 0.00 0.00 177.39 177.02 1y50 s ALA 87 N -2.53 -1.07 0.00 -1.18 0.00 -0.81 -5.04 121.76 111.13 1y50 s ALA 87 Ca -0.31 0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1y50 s ALA 87 Cb 0.09 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1y50 s ALA 87 CO 0.49 -0.48 0.00 -0.85 0.00 0.00 0.00 175.76 174.92