#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frh s TYR 2 N 0.00 3.53 -0.09 0.00 1.51 -1.26 -1.40 117.35 119.64 1frh s TYR 2 Ca 0.00 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1frh s TYR 2 Cb 0.00 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1frh s TYR 2 CO 0.00 0.61 -0.24 0.08 -1.11 0.00 0.00 175.55 174.89 1frh s VAL 3 N -1.43 2.11 -0.07 0.71 1.01 0.11 -4.67 120.40 118.17 1frh s VAL 3 Ca 0.32 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1frh s VAL 3 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1frh s VAL 3 CO 0.24 0.56 0.69 -0.69 0.00 0.00 0.00 175.10 175.89 1frh s VAL 4 N 0.23 5.05 0.00 2.92 1.01 -1.26 -2.09 120.40 126.26 1frh s VAL 4 Ca -0.15 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1frh s VAL 4 Cb -0.17 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1frh s VAL 4 CO 0.08 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.78 1frh n THR 5 N 3.80 0.00 -0.25 3.92 -2.24 0.01 -4.88 114.28 114.63 1frh n THR 5 Ca -0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1frh n THR 5 Cb 0.51 -0.53 0.38 0.00 -2.10 0.00 0.00 70.33 68.59 1frh n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frh h ASP 6 N 0.00 0.64 1.05 3.42 3.58 -1.95 -2.70 116.42 120.47 1frh h ASP 6 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1frh h ASP 6 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1frh h ASP 6 CO 0.00 0.34 0.00 -3.20 -2.88 0.00 0.00 179.24 173.50 1frh n ASN 7 N -4.54 0.73 -0.07 2.28 5.15 -1.26 -1.58 115.26 115.97 1frh n ASN 7 Ca 0.16 0.63 -0.02 0.00 -0.60 0.00 0.00 54.58 54.75 1frh n ASN 7 Cb 0.43 -0.80 0.23 0.00 -0.53 0.00 0.00 39.78 39.10 1frh n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frh n ILE 9 N -4.26 0.17 -0.93 0.00 5.41 -0.62 -0.64 119.36 118.48 1frh n ILE 9 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1frh n ILE 9 Cb 0.25 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 1frh n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1frh n LYS 10 N 4.60 -1.01 -0.02 0.38 5.02 -0.51 -4.77 118.16 121.84 1frh n LYS 10 Ca 0.17 0.25 -0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1frh n LYS 10 Cb 0.34 -4.18 -0.02 0.00 -0.02 0.00 0.00 35.03 31.15 1frh n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frh n LYS 12 N -3.89 -0.66 0.19 0.00 4.81 0.09 -2.56 118.16 116.15 1frh n LYS 12 Ca -0.08 0.29 0.04 0.00 -0.87 0.00 0.00 58.31 57.70 1frh n LYS 12 Cb 0.27 -2.39 0.37 0.00 0.02 0.00 0.00 35.03 33.30 1frh n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frh h TYR 13 N -1.86 0.00 0.00 5.64 0.05 -1.90 -3.30 116.97 115.59 1frh h TYR 13 Ca -0.69 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.09 1frh h TYR 13 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 1frh h TYR 13 CO 0.32 0.38 0.00 0.25 -1.05 0.00 0.00 178.16 178.06 1frh n THR 14 N -3.84 0.00 -0.28 -2.88 -2.24 -1.26 -4.18 114.28 99.60 1frh n THR 14 Ca -0.01 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.98 1frh n THR 14 Cb 0.45 -0.88 0.53 0.00 -2.10 0.00 0.00 70.33 68.32 1frh n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frh h ASP 15 N 0.00 0.40 -0.63 3.42 3.32 -1.89 -2.30 116.42 118.74 1frh h ASP 15 Ca 0.00 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1frh h ASP 15 Cb 0.78 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1frh h ASP 15 CO 0.00 0.13 0.42 0.00 -1.72 0.00 0.00 179.24 178.06 1frh h VAL 17 N 0.46 0.51 -0.86 0.00 -1.51 -1.80 -3.13 116.25 109.92 1frh h VAL 17 Ca 0.29 -1.02 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 1frh h VAL 17 Cb 0.52 1.71 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1frh h VAL 17 CO -0.09 0.20 0.48 -0.33 -1.23 0.00 0.00 177.57 176.60 1frh h GLU 18 N 0.00 1.20 0.00 5.19 3.07 -1.58 -2.90 114.58 119.55 1frh h GLU 18 Ca -0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1frh h GLU 18 Cb 0.69 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1frh h GLU 18 CO 0.03 0.87 -0.33 1.55 -1.40 0.00 0.00 179.01 179.72 1frh n VAL 19 N -4.34 0.01 -2.26 3.13 3.14 -1.18 -4.91 118.33 111.92 1frh n VAL 19 Ca 0.09 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 61.04 1frh n VAL 19 Cb 0.09 -0.02 -0.02 0.00 -1.06 0.00 0.00 33.84 32.83 1frh n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1frh h PRO 21 N 8.93 0.00 -0.16 0.00 0.13 -1.91 -3.30 132.00 135.70 1frh h PRO 21 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1frh h PRO 21 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1frh h PRO 21 CO 0.97 0.39 0.00 1.33 -0.23 0.00 0.00 178.00 180.47 1frh n VAL 22 N -3.77 0.42 -3.53 1.56 0.24 -1.26 -5.00 118.33 106.98 1frh n VAL 22 Ca -0.01 -0.71 -0.24 0.00 -2.04 0.00 0.00 64.34 61.34 1frh n VAL 22 Cb 0.47 0.93 0.05 0.00 -1.47 0.00 0.00 33.84 33.82 1frh n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1frh n ASP 23 N 0.60 -5.04 -1.53 -1.34 8.00 -1.24 -4.95 116.55 111.06 1frh n ASP 23 Ca 0.09 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.59 1frh n ASP 23 Cb 0.35 -4.15 0.16 0.00 -0.02 0.00 0.00 41.12 37.46 1frh n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frh s PHE 25 N -3.37 3.59 0.04 0.00 0.40 -1.26 -0.40 117.98 116.98 1frh s PHE 25 Ca 0.49 0.60 0.07 0.00 -0.60 0.00 0.00 56.93 57.49 1frh s PHE 25 Cb 0.43 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1frh s PHE 25 CO 0.01 0.63 -0.21 0.71 0.70 0.00 0.00 175.22 177.06 1frh s TYR 26 N -0.75 1.83 -0.18 0.36 1.51 -0.37 -1.73 117.35 118.03 1frh s TYR 26 Ca 0.16 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1frh s TYR 26 Cb -0.13 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1frh s TYR 26 CO 0.05 0.09 0.05 -2.00 -1.11 0.00 0.00 175.55 172.63 1frh s GLU 27 N -1.17 3.93 0.48 -0.62 2.12 0.12 -1.55 118.70 122.00 1frh s GLU 27 Ca 0.08 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1frh s GLU 27 Cb -0.09 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1frh s GLU 27 CO 0.02 0.26 0.02 0.20 -0.54 0.00 0.00 175.26 175.22 1frh s GLY 28 N 0.38 2.82 0.30 -1.50 0.00 -0.31 -3.85 107.32 105.16 1frh s GLY 28 Ca 0.02 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1frh s GLY 28 CO 0.01 -2.15 1.80 -2.55 0.00 0.00 0.00 173.10 170.21 1frh h PRO 29 N 1.47 0.84 0.00 2.90 0.11 -1.87 -3.28 132.00 132.17 1frh h PRO 29 Ca -0.44 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1frh h PRO 29 Cb 1.29 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 32.06 1frh h PRO 29 CO 0.76 0.55 -0.65 0.27 -0.21 0.00 0.00 178.00 178.72 1frh n ASN 30 N -4.70 0.31 -3.48 -2.05 0.23 -1.26 -5.04 115.26 99.27 1frh n ASN 30 Ca 0.21 -1.93 -0.14 0.00 -0.53 0.00 0.00 54.58 52.20 1frh n ASN 30 Cb 0.48 -0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 37.94 1frh n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1frh s PHE 31 N 0.00 -0.56 0.15 -2.53 5.36 -1.24 -1.42 117.98 117.74 1frh s PHE 31 Ca 0.12 0.65 0.10 0.00 -0.96 0.00 0.00 56.93 56.84 1frh s PHE 31 Cb 0.14 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.27 1frh s PHE 31 CO -0.06 -0.70 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.29 1frh s LEU 32 N -2.02 2.62 0.16 6.12 1.02 -1.26 -1.16 118.68 124.16 1frh s LEU 32 Ca -0.04 -0.68 0.06 0.00 0.02 0.00 0.00 54.13 53.50 1frh s LEU 32 Cb -0.01 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.76 1frh s LEU 32 CO -0.03 0.15 -0.14 0.68 0.02 0.00 0.00 176.35 177.03 1frh s VAL 33 N -1.40 1.49 -0.16 -1.59 -7.23 -0.60 -4.76 120.40 106.15 1frh s VAL 33 Ca 0.20 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1frh s VAL 33 Cb -0.09 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1frh s VAL 33 CO 0.10 -0.54 0.09 -0.63 -0.31 0.00 0.00 175.10 173.81 1frh s ILE 34 N -2.68 5.05 -0.30 -0.62 1.01 -1.26 -1.24 121.20 121.16 1frh s ILE 34 Ca 0.16 0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.59 1frh s ILE 34 Cb -0.02 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1frh s ILE 34 CO 0.04 0.50 0.97 -2.28 0.00 0.00 0.00 174.94 174.18 1frh s HIS 35 N -0.06 3.21 0.27 3.97 5.65 0.47 -4.53 115.29 124.26 1frh s HIS 35 Ca 0.08 1.13 0.25 0.00 0.25 0.00 0.00 55.06 56.76 1frh s HIS 35 Cb -0.12 -3.45 1.12 0.00 -1.18 0.00 0.00 32.58 28.96 1frh s HIS 35 CO 0.01 -0.64 1.92 -1.00 -0.65 0.00 0.00 174.74 174.38 1frh h PRO 36 N 7.97 0.00 0.10 2.88 0.13 -1.89 -1.44 132.00 139.75 1frh h PRO 36 Ca -0.21 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.64 1frh h PRO 36 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1frh h PRO 36 CO 0.97 0.20 -1.17 -0.44 -0.23 0.00 0.00 178.00 177.33 1frh h ASP 37 N 0.00 0.61 0.92 1.44 3.32 -1.99 -3.29 116.42 117.44 1frh h ASP 37 Ca -0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 57.03 56.25 1frh h ASP 37 Cb 0.58 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1frh h ASP 37 CO 0.03 1.41 -1.06 -0.33 -1.72 0.00 0.00 179.24 177.57 1frh h GLU 38 N 0.18 0.05 -6.79 3.56 5.08 -1.69 -3.46 114.58 111.51 1frh h GLU 38 Ca -0.14 -0.09 -0.53 0.00 -1.00 0.00 0.00 59.36 57.60 1frh h GLU 38 Cb 1.85 0.03 0.08 0.00 0.50 0.00 0.00 28.75 31.22 1frh h GLU 38 CO 0.21 1.04 0.91 0.00 -1.00 0.00 0.00 179.01 180.17 1frh n ILE 40 N 2.35 0.90 -2.90 0.00 -5.35 -1.26 -4.74 119.36 108.37 1frh n ILE 40 Ca 0.09 -0.95 -0.22 0.00 -0.27 0.00 0.00 62.75 61.40 1frh n ILE 40 Cb 0.37 0.59 0.02 0.00 -1.74 0.00 0.00 39.64 38.89 1frh n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frh n ASP 41 N 1.55 -5.82 0.11 7.28 8.00 -1.26 -4.87 116.55 121.54 1frh n ASP 41 Ca 0.23 -0.22 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1frh n ASP 41 Cb 0.61 -4.74 0.46 0.00 -0.02 0.00 0.00 41.12 37.42 1frh n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frh n ALA 43 N -1.72 -0.14 0.24 0.00 0.00 -1.26 -4.87 120.51 112.76 1frh n ALA 43 Ca 0.02 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1frh n ALA 43 Cb 0.22 -1.64 0.56 0.00 0.00 0.00 0.00 19.45 18.59 1frh n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frh h LEU 44 N 0.00 0.00 -0.31 0.00 4.07 -1.92 -3.16 115.31 114.00 1frh h LEU 44 Ca -0.19 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.61 1frh h LEU 44 Cb 1.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 1frh h LEU 44 CO 0.27 0.19 -0.77 0.00 -1.08 0.00 0.00 178.44 177.05 1frh h GLU 46 N 0.00 0.00 0.00 0.00 4.11 -1.88 -1.47 114.58 115.34 1frh h GLU 46 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1frh h GLU 46 Cb 1.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 1frh h GLU 46 CO 0.10 0.19 -0.10 -1.35 0.07 0.00 0.00 179.01 177.91 1frh h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.78 -3.24 132.00 128.15 1frh h PRO 47 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1frh h PRO 47 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1frh h PRO 47 CO 0.02 0.10 -0.47 0.93 -0.21 0.00 0.00 178.00 178.37 1frh h GLU 48 N 0.00 0.00 -6.25 1.05 4.39 -1.43 -3.45 114.58 108.88 1frh h GLU 48 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1frh h GLU 48 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1frh h GLU 48 CO 0.01 0.28 1.18 0.00 -1.16 0.00 0.00 179.01 179.33 1frh h PRO 50 N 11.07 0.11 -0.01 0.00 0.11 -1.92 -1.56 132.00 139.79 1frh h PRO 50 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1frh h PRO 50 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1frh h PRO 50 CO 0.98 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 179.07 1frh n ALA 51 N -2.49 2.65 -4.31 -0.75 0.00 -1.26 -4.89 120.51 109.45 1frh n ALA 51 Ca -0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 1frh n ALA 51 Cb 0.28 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1frh n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frh n GLN 52 N -0.62 -1.44 0.00 0.00 1.13 -0.59 -4.83 117.38 111.03 1frh n GLN 52 Ca 0.21 0.17 0.11 0.00 -1.94 0.00 0.00 57.00 55.56 1frh n GLN 52 Cb 0.18 -4.12 0.11 0.00 0.11 0.00 0.00 30.24 26.53 1frh n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frh n ALA 53 N -4.42 3.87 -2.71 -1.58 0.00 -1.26 -4.92 120.51 109.49 1frh n ALA 53 Ca -0.19 -0.49 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 1frh n ALA 53 Cb 0.62 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 1frh n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frh s ILE 54 N -2.83 5.29 0.03 0.00 1.01 -1.26 -0.81 121.20 122.62 1frh s ILE 54 Ca 0.13 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1frh s ILE 54 Cb 0.17 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1frh s ILE 54 CO 0.70 0.56 -0.05 -0.36 0.00 0.00 0.00 174.94 175.80 1frh s PHE 55 N -0.75 0.42 0.32 3.97 0.40 -0.89 -4.87 117.98 116.58 1frh s PHE 55 Ca 0.18 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.79 1frh s PHE 55 Cb -0.14 -0.27 -0.10 0.00 0.51 0.00 0.00 43.02 43.02 1frh s PHE 55 CO 0.07 -0.12 1.38 0.45 0.70 0.00 0.00 175.22 177.70 1frh s SER 56 N -1.28 6.66 0.35 1.36 0.15 -1.26 0.07 113.70 119.74 1frh s SER 56 Ca -0.11 2.76 0.15 0.00 0.70 0.00 0.00 55.95 59.45 1frh s SER 56 Cb -0.08 -2.65 1.06 0.00 -1.71 0.00 0.00 66.02 62.64 1frh s SER 56 CO -0.00 -0.65 1.69 -0.08 1.20 0.00 0.00 173.24 175.40 1frh h GLU 57 N 3.73 0.37 0.00 5.44 4.81 -1.56 0.23 114.58 127.59 1frh h GLU 57 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1frh h GLU 57 Cb 1.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1frh h GLU 57 CO 0.68 0.25 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 1frh n ASP 58 N -4.94 0.00 0.00 1.04 5.68 -1.26 -2.82 116.55 114.25 1frh n ASP 58 Ca 0.30 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 1frh n ASP 58 Cb 0.94 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1frh n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frh n GLU 59 N -1.09 0.86 -1.71 0.11 1.02 0.77 -5.03 120.64 115.56 1frh n GLU 59 Ca 0.18 -0.94 -0.43 0.00 -0.02 0.00 0.00 57.16 55.96 1frh n GLU 59 Cb 0.13 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1frh n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1frh n VAL 60 N -0.23 0.07 -1.08 2.62 0.31 -1.01 -4.86 118.33 114.16 1frh n VAL 60 Ca 0.00 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 1frh n VAL 60 Cb 0.13 -1.97 0.10 0.00 -0.91 0.00 0.00 33.84 31.19 1frh n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1frh n PRO 61 N 4.23 0.09 -0.32 5.55 -0.02 -1.26 -4.81 135.00 138.46 1frh n PRO 61 Ca 0.16 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1frh n PRO 61 Cb 0.35 -1.98 0.17 0.00 -0.02 0.00 0.00 33.50 32.02 1frh n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frh h GLU 62 N -0.86 0.91 -0.07 -0.52 4.22 -2.02 -0.82 114.58 115.42 1frh h GLU 62 Ca -0.45 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1frh h GLU 62 Cb 1.32 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1frh h GLU 62 CO 0.41 0.60 0.00 -0.40 -2.18 0.00 0.00 179.01 177.44 1frh n ASP 63 N -4.65 0.40 -0.03 1.04 5.75 -1.26 -2.96 116.55 114.84 1frh n ASP 63 Ca 0.14 -1.89 0.02 0.00 -0.01 0.00 0.00 54.79 53.05 1frh n ASP 63 Cb 0.24 -0.05 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1frh n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frh n MET 64 N -0.33 2.25 0.09 0.11 2.81 -0.32 -4.80 117.12 116.92 1frh n MET 64 Ca 0.05 -1.62 0.20 0.00 -1.81 0.00 0.00 57.70 54.52 1frh n MET 64 Cb 0.08 -1.04 0.75 0.00 -0.71 0.00 0.00 33.22 32.29 1frh n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frh h GLN 65 N 0.00 0.00 -0.39 0.03 1.08 -1.45 -0.34 115.11 114.04 1frh h GLN 65 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1frh h GLN 65 Cb 0.68 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1frh h GLN 65 CO 0.00 0.00 0.26 0.93 -0.95 0.00 0.00 178.83 179.07 1frh h GLU 66 N 0.00 0.51 0.00 1.46 3.07 -1.87 -2.75 114.58 115.01 1frh h GLU 66 Ca 0.19 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1frh h GLU 66 Cb 0.98 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1frh h GLU 66 CO -0.00 0.34 -0.07 0.74 -1.40 0.00 0.00 179.01 178.62 1frh h PHE 67 N 0.53 0.00 0.13 4.33 0.04 -1.40 -1.86 116.94 118.71 1frh h PHE 67 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1frh h PHE 67 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1frh h PHE 67 CO 0.00 0.07 -0.06 0.82 -0.60 0.00 0.00 178.31 178.53 1frh h ILE 68 N 0.00 0.98 -0.24 -0.55 2.04 -1.67 0.12 117.51 118.20 1frh h ILE 68 Ca -0.00 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 1frh h ILE 68 Cb 0.21 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1frh h ILE 68 CO 0.01 0.11 -0.39 -0.61 0.00 0.00 0.00 178.15 177.27 1frh h GLN 69 N -0.39 0.54 -0.63 2.37 4.15 -1.70 -3.04 115.11 116.40 1frh h GLN 69 Ca -0.02 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1frh h GLN 69 Cb 0.32 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1frh h GLN 69 CO 0.03 0.84 0.39 1.25 -1.93 0.00 0.00 178.83 179.41 1frh h LEU 70 N 0.45 0.75 -0.85 -2.39 6.46 -0.88 -0.96 115.31 117.89 1frh h LEU 70 Ca 0.04 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1frh h LEU 70 Cb 0.88 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1frh h LEU 70 CO 0.07 0.58 0.56 0.78 -0.62 0.00 0.00 178.44 179.82 1frh h ASN 71 N 0.86 0.97 -0.33 1.25 -0.26 -0.68 -0.86 115.58 116.53 1frh h ASN 71 Ca 0.23 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.89 1frh h ASN 71 Cb -0.04 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 1frh h ASN 71 CO -0.04 0.70 0.01 0.00 -1.06 0.00 0.00 177.43 177.03 1frh h ALA 72 N 1.32 0.44 -0.09 -0.83 0.00 -1.32 -2.21 119.26 116.57 1frh h ALA 72 Ca 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1frh h ALA 72 Cb -0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1frh h ALA 72 CO -0.07 0.19 -0.07 0.93 0.00 0.00 0.00 179.25 180.23 1frh h GLU 73 N 0.39 0.20 0.00 0.00 4.39 -1.00 -3.26 114.58 115.30 1frh h GLU 73 Ca 0.09 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1frh h GLU 73 Cb 0.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1frh h GLU 73 CO 0.02 0.61 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.31 1frh h LEU 74 N -0.21 0.00 -1.29 1.33 3.38 -1.15 -2.55 115.31 114.82 1frh h LEU 74 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1frh h LEU 74 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1frh h LEU 74 CO 0.02 0.09 -0.27 0.00 0.09 0.00 0.00 178.44 178.37 1frh h ALA 75 N 1.91 1.13 0.00 1.53 0.00 -1.43 0.16 119.26 122.55 1frh h ALA 75 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1frh h ALA 75 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1frh h ALA 75 CO 0.01 0.34 -0.21 0.93 0.00 0.00 0.00 179.25 180.32 1frh h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.52 -3.36 114.58 114.09 1frh h GLU 76 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1frh h GLU 76 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1frh h GLU 76 CO 0.04 0.21 -1.56 1.33 -1.16 0.00 0.00 179.01 177.87 1frh n VAL 77 N -3.21 0.21 -3.09 3.13 0.24 -0.05 -5.02 118.33 110.54 1frh n VAL 77 Ca 0.02 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.34 61.69 1frh n VAL 77 Cb 0.54 -0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 1frh n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frh s TRP 78 N -2.60 3.40 0.44 6.34 0.51 0.34 -5.07 118.94 122.30 1frh s TRP 78 Ca -0.04 1.29 -0.24 0.00 -2.12 0.00 0.00 56.10 54.98 1frh s TRP 78 Cb 0.06 -2.59 -0.08 0.00 -0.81 0.00 0.00 33.47 30.05 1frh s TRP 78 CO 0.44 0.10 1.24 -1.25 -0.51 0.00 0.00 176.95 176.97 1frh s PRO 79 N -2.87 3.83 0.30 4.98 0.04 -1.25 -4.61 135.00 135.42 1frh s PRO 79 Ca 0.54 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 1frh s PRO 79 Cb -0.11 -2.58 -0.12 0.00 0.04 0.00 0.00 34.50 31.73 1frh s PRO 79 CO 0.17 -0.55 1.57 -1.71 0.04 0.00 0.00 177.00 176.52 1frh n ASN 80 N -0.19 3.75 -4.25 6.66 4.05 -1.26 0.13 115.26 124.14 1frh n ASN 80 Ca 0.06 1.16 -0.33 0.00 0.45 0.00 0.00 54.58 55.92 1frh n ASN 80 Cb 0.46 -1.58 -0.16 0.00 1.23 0.00 0.00 39.78 39.73 1frh n ASN 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1frh s ILE 81 N -0.14 2.41 -0.14 -1.44 2.07 -0.70 -4.74 121.20 118.52 1frh s ILE 81 Ca 0.63 -0.88 0.02 0.00 -1.41 0.00 0.00 60.65 59.01 1frh s ILE 81 Cb -0.51 -1.97 -0.01 0.00 0.13 0.00 0.00 42.46 40.11 1frh s ILE 81 CO 0.50 0.54 0.26 0.35 -1.91 0.00 0.00 174.94 174.68 1frh n THR 82 N 3.75 0.00 -5.13 4.00 -2.24 -1.26 -4.49 114.28 108.91 1frh n THR 82 Ca -0.19 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.82 1frh n THR 82 Cb 0.52 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.61 1frh n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frh s GLU 83 N -0.77 2.14 0.62 -0.78 2.02 -1.26 -4.81 118.70 115.86 1frh s GLU 83 Ca 0.01 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 54.01 1frh s GLU 83 Cb 0.01 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 1frh s GLU 83 CO 0.05 0.39 1.13 1.17 0.02 0.00 0.00 175.26 178.02 1frh n LYS 84 N 2.84 1.03 -3.98 1.61 4.81 -1.26 -5.02 118.16 118.19 1frh n LYS 84 Ca -0.17 0.40 -0.18 0.00 -0.87 0.00 0.00 58.31 57.49 1frh n LYS 84 Cb 0.52 -2.35 -0.07 0.00 0.02 0.00 0.00 35.03 33.15 1frh n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1frh n LYS 85 N -1.43 0.40 -2.21 1.64 2.85 -1.26 -5.12 118.16 113.03 1frh n LYS 85 Ca 0.15 -2.93 -0.36 0.00 -1.05 0.00 0.00 58.31 54.12 1frh n LYS 85 Cb 0.48 2.27 0.01 0.00 -0.65 0.00 0.00 35.03 37.13 1frh n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frh s ASP 86 N -3.06 5.69 0.68 -5.58 1.01 -1.26 -4.70 116.67 109.45 1frh s ASP 86 Ca 0.32 2.24 -0.16 0.00 0.71 0.00 0.00 52.55 55.66 1frh s ASP 86 Cb 0.02 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1frh s ASP 86 CO 0.23 -1.24 1.23 -2.84 0.21 0.00 0.00 175.17 172.76 1frh s PRO 87 N -3.20 2.39 0.72 8.23 0.02 -1.26 -4.90 135.00 137.00 1frh s PRO 87 Ca 0.72 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1frh s PRO 87 Cb -0.26 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1frh s PRO 87 CO 0.29 -1.66 0.95 1.28 -0.33 0.00 0.00 177.00 177.53 1frh n LEU 88 N -2.31 3.41 -0.28 -5.54 4.77 -1.06 -4.85 117.00 111.14 1frh n LEU 88 Ca 0.14 0.67 -0.06 0.00 -0.03 0.00 0.00 56.01 56.73 1frh n LEU 88 Cb 0.50 -1.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.25 1frh n LEU 88 CO 0.47 -2.08 1.08 -0.65 -1.33 0.00 0.00 177.39 174.88 1frh h PRO 89 N -0.24 1.11 -0.62 3.23 0.11 -1.90 -0.26 132.00 133.42 1frh h PRO 89 Ca -0.47 -0.16 -0.12 0.00 0.11 0.00 0.00 66.00 65.35 1frh h PRO 89 Cb 1.33 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1frh h PRO 89 CO 0.47 0.86 0.14 -0.25 -0.21 0.00 0.00 178.00 179.02 1frh n ASP 90 N -4.38 4.95 -0.27 -2.05 9.92 -1.26 -4.74 116.55 118.73 1frh n ASP 90 Ca 0.07 -3.14 0.21 0.00 -0.53 0.00 0.00 54.79 51.40 1frh n ASP 90 Cb 0.14 -0.70 0.52 0.00 -0.64 0.00 0.00 41.12 40.44 1frh n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frh h ALA 91 N 2.94 2.26 -0.01 2.24 0.00 -1.20 -1.26 119.26 124.24 1frh h ALA 91 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1frh h ALA 91 Cb 2.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1frh h ALA 91 CO 0.60 -0.58 -0.35 -0.85 0.00 0.00 0.00 179.25 178.06 1frh n GLU 92 N -4.52 0.63 -0.19 0.00 -0.00 -1.26 -1.64 120.64 113.66 1frh n GLU 92 Ca 0.21 -0.39 -0.10 0.00 -0.00 0.00 0.00 57.16 56.88 1frh n GLU 92 Cb 0.77 -1.49 0.01 0.00 -0.00 0.00 0.00 31.44 30.73 1frh n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1frh h ASP 93 N 0.94 1.01 1.26 -1.84 3.32 -1.61 -3.19 116.42 116.31 1frh h ASP 93 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1frh h ASP 93 Cb 0.52 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1frh h ASP 93 CO 0.00 1.11 -0.59 -0.50 -1.72 0.00 0.00 179.24 177.53 1frh h TRP 94 N 0.89 0.00 -1.98 4.55 4.06 -1.47 -3.44 115.95 118.55 1frh h TRP 94 Ca 0.14 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.54 1frh h TRP 94 Cb 0.64 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1frh h TRP 94 CO 0.05 0.00 1.50 0.34 -3.56 0.00 0.00 178.44 176.77 1frh s ASP 95 N -5.28 5.25 0.00 -3.49 -1.08 -0.65 -1.95 116.67 109.46 1frh s ASP 95 Ca 0.04 1.59 0.00 0.00 -0.52 0.00 0.00 52.55 53.65 1frh s ASP 95 Cb 0.09 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1frh s ASP 95 CO 0.73 -2.17 0.00 0.61 0.52 0.00 0.00 175.17 174.86 1frh n GLY 96 N 5.79 0.83 3.72 2.66 0.00 -1.26 -5.01 105.19 111.91 1frh n GLY 96 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1frh n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frh s VAL 97 N -2.00 4.02 0.52 1.61 1.01 -0.82 -5.03 120.40 119.70 1frh s VAL 97 Ca 0.00 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 1frh s VAL 97 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1frh s VAL 97 CO 0.00 0.15 0.83 -1.59 0.00 0.00 0.00 175.10 174.49 1frh s LYS 98 N 0.70 3.35 -0.38 2.72 -2.85 -1.26 -4.46 119.74 117.56 1frh s LYS 98 Ca 0.56 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1frh s LYS 98 Cb -0.29 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 1frh s LYS 98 CO 0.31 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1frh n GLY 99 N -2.38 0.27 0.00 0.59 0.00 -1.26 -4.95 105.19 97.47 1frh n GLY 99 Ca 0.02 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1frh n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frh n LYS 100 N -1.64 0.35 0.25 1.61 5.02 -1.26 -3.77 118.16 118.72 1frh n LYS 100 Ca -0.05 0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.39 1frh n LYS 100 Cb 0.48 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.61 1frh n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frh h LEU 101 N 0.00 0.00 -1.53 -0.35 5.85 -1.92 0.14 115.31 117.49 1frh h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1frh h LEU 101 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1frh h LEU 101 CO 0.00 0.15 0.00 0.06 -0.34 0.00 0.00 178.44 178.31 1frh h GLN 102 N 0.00 0.00 -0.01 1.25 3.07 -2.00 -1.99 115.11 115.43 1frh h GLN 102 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1frh h GLN 102 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1frh h GLN 102 CO 0.02 0.00 -0.16 0.72 0.09 0.00 0.00 178.83 179.50 1frh n HIS 103 N -2.84 0.00 -1.82 0.06 8.25 0.48 -5.00 115.22 114.36 1frh n HIS 103 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1frh n HIS 103 Cb 0.23 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.30 1frh n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frh s LEU 104 N -2.27 4.15 -0.06 2.41 2.96 -0.75 -4.95 118.68 120.17 1frh s LEU 104 Ca 0.29 2.92 0.06 0.00 -0.22 0.00 0.00 54.13 57.18 1frh s LEU 104 Cb 0.20 -3.89 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1frh s LEU 104 CO 0.44 -1.11 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.51 1frh s GLU 105 N -2.38 2.49 0.00 1.98 2.02 -1.26 -5.10 118.70 116.45 1frh s GLU 105 Ca 0.59 -0.86 0.31 0.00 0.02 0.00 0.00 54.97 55.03 1frh s GLU 105 Cb -0.44 -2.09 1.84 0.00 0.10 0.00 0.00 34.13 33.54 1frh s GLU 105 CO 0.57 0.34 2.17 -2.13 0.02 0.00 0.00 175.26 176.23