#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdd s PHE 2 N 0.00 3.48 -0.05 0.00 0.40 -1.26 -1.29 117.98 119.26 1fdd s PHE 2 Ca 0.00 0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 1fdd s PHE 2 Cb 0.00 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.66 1fdd s PHE 2 CO 0.00 0.33 -0.07 0.08 0.70 0.00 0.00 175.22 176.25 1fdd s VAL 3 N -1.94 0.76 -0.11 -0.44 1.01 0.57 -4.69 120.40 115.56 1fdd s VAL 3 Ca 0.39 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1fdd s VAL 3 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1fdd s VAL 3 CO 0.30 0.27 0.63 -0.69 0.00 0.00 0.00 175.10 175.61 1fdd s VAL 4 N 0.79 5.07 0.00 2.92 1.01 -1.26 -1.73 120.40 127.20 1fdd s VAL 4 Ca -0.13 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1fdd s VAL 4 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1fdd s VAL 4 CO 0.02 0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.70 1fdd n THR 5 N 3.98 0.00 -0.31 3.92 -2.24 -0.43 -4.87 114.28 114.32 1fdd n THR 5 Ca -0.03 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1fdd n THR 5 Cb 0.51 -0.38 0.34 0.00 -2.10 0.00 0.00 70.33 68.70 1fdd n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1fdd h ASP 6 N 0.00 0.20 0.79 3.42 3.58 -1.94 -2.57 116.42 119.90 1fdd h ASP 6 Ca 0.00 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1fdd h ASP 6 Cb 0.00 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1fdd h ASP 6 CO 0.00 -0.12 0.00 -3.20 -2.88 0.00 0.00 179.24 173.04 1fdd n ASN 7 N -5.14 0.20 0.05 2.28 5.15 -1.26 -1.46 115.26 115.08 1fdd n ASN 7 Ca 0.24 0.54 -0.01 0.00 -0.60 0.00 0.00 54.58 54.75 1fdd n ASN 7 Cb 0.75 -0.58 0.28 0.00 -0.53 0.00 0.00 39.78 39.70 1fdd n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fdd n ILE 9 N -4.19 0.20 -0.97 0.00 5.41 -0.54 -1.21 119.36 118.07 1fdd n ILE 9 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1fdd n ILE 9 Cb 0.34 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1fdd n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1fdd n LYS 10 N 3.58 -1.25 -0.00 0.38 5.02 -0.30 -4.78 118.16 120.80 1fdd n LYS 10 Ca 0.15 0.31 -0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1fdd n LYS 10 Cb 0.35 -4.33 -0.01 0.00 -0.02 0.00 0.00 35.03 31.02 1fdd n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fdd n LYS 12 N -3.35 -0.85 0.22 0.00 4.81 -0.39 -1.73 118.16 116.87 1fdd n LYS 12 Ca -0.03 0.27 0.06 0.00 -0.87 0.00 0.00 58.31 57.74 1fdd n LYS 12 Cb 0.12 -3.41 0.54 0.00 0.02 0.00 0.00 35.03 32.31 1fdd n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fdd h TYR 13 N -2.23 0.04 -0.12 5.64 0.05 -1.91 -3.34 116.97 115.10 1fdd h TYR 13 Ca -0.69 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.04 1fdd h TYR 13 Cb 1.38 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 1fdd h TYR 13 CO 0.36 0.14 -0.05 0.25 -1.05 0.00 0.00 178.16 177.81 1fdd n THR 14 N -4.41 0.00 -0.33 -2.88 -2.24 -1.26 -4.09 114.28 99.07 1fdd n THR 14 Ca -0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1fdd n THR 14 Cb 0.18 -1.02 0.33 0.00 -2.10 0.00 0.00 70.33 67.72 1fdd n THR 14 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1fdd h ASN 15 N 0.00 0.63 -0.63 3.42 4.21 -1.89 -1.87 115.58 119.46 1fdd h ASN 15 Ca -0.05 0.12 0.18 0.00 1.21 0.00 0.00 56.30 57.76 1fdd h ASN 15 Cb 0.93 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 38.13 1fdd h ASN 15 CO 0.08 0.16 0.45 0.00 -1.29 0.00 0.00 177.43 176.82 1fdd h VAL 17 N 0.02 0.00 0.00 0.00 -1.51 -1.72 -3.13 116.25 109.91 1fdd h VAL 17 Ca 0.30 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1fdd h VAL 17 Cb 1.16 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1fdd h VAL 17 CO -0.01 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.71 1fdd n GLU 18 N -2.86 0.16 -0.00 5.19 4.71 -0.92 -3.29 120.64 123.61 1fdd n GLU 18 Ca 0.03 0.24 0.09 0.00 -0.01 0.00 0.00 57.16 57.52 1fdd n GLU 18 Cb 0.44 -1.73 -0.13 0.00 -1.01 0.00 0.00 31.44 29.02 1fdd n GLU 18 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1fdd n VAL 19 N -2.01 0.00 -1.95 2.62 3.14 -1.18 -4.94 118.33 114.01 1fdd n VAL 19 Ca 0.05 -0.25 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 1fdd n VAL 19 Cb 0.32 0.54 -0.03 0.00 -1.06 0.00 0.00 33.84 33.61 1fdd n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fdd h PRO 21 N 9.81 0.00 -0.06 0.00 0.13 -1.92 -3.31 132.00 136.65 1fdd h PRO 21 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1fdd h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fdd h PRO 21 CO 0.95 0.14 0.00 1.33 -0.23 0.00 0.00 178.00 180.20 1fdd n VAL 22 N -3.20 0.17 -3.28 1.56 0.24 -1.26 -5.01 118.33 107.56 1fdd n VAL 22 Ca 0.02 -0.59 -0.15 0.00 -2.04 0.00 0.00 64.34 61.58 1fdd n VAL 22 Cb 0.48 1.08 0.08 0.00 -1.47 0.00 0.00 33.84 34.01 1fdd n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1fdd n ASP 23 N 0.51 -3.60 -1.85 -1.34 8.00 -1.25 -4.93 116.55 112.10 1fdd n ASP 23 Ca 0.06 -0.62 -0.15 0.00 0.71 0.00 0.00 54.79 54.80 1fdd n ASP 23 Cb 0.27 -4.90 0.20 0.00 -0.02 0.00 0.00 41.12 36.67 1fdd n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fdd s PHE 25 N -3.23 3.56 0.08 0.00 0.40 -1.26 -0.72 117.98 116.80 1fdd s PHE 25 Ca 0.53 0.42 0.06 0.00 -0.60 0.00 0.00 56.93 57.34 1fdd s PHE 25 Cb 0.45 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1fdd s PHE 25 CO 0.08 0.66 -0.16 0.71 0.70 0.00 0.00 175.22 177.20 1fdd s TYR 26 N -1.27 1.38 -0.14 0.36 1.51 -0.13 -1.58 117.35 117.47 1fdd s TYR 26 Ca 0.25 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1fdd s TYR 26 Cb -0.13 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1fdd s TYR 26 CO 0.16 0.09 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.52 1fdd s GLU 27 N -1.71 3.18 0.51 -0.62 2.12 0.65 -1.74 118.70 121.08 1fdd s GLU 27 Ca 0.01 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.61 1fdd s GLU 27 Cb -0.10 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.76 1fdd s GLU 27 CO 0.03 0.05 0.34 0.20 -0.54 0.00 0.00 175.26 175.33 1fdd s GLY 28 N 0.72 2.41 0.27 -1.50 0.00 -0.39 -4.13 107.32 104.70 1fdd s GLY 28 Ca -0.08 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1fdd s GLY 28 CO 0.01 -1.94 1.72 -2.55 0.00 0.00 0.00 173.10 170.34 1fdd h PRO 29 N 0.91 0.44 -0.05 2.90 0.11 -1.86 -3.29 132.00 131.15 1fdd h PRO 29 Ca -0.38 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.52 1fdd h PRO 29 Cb 1.29 -0.10 -0.37 0.00 0.11 0.00 0.00 31.00 31.94 1fdd h PRO 29 CO 0.60 0.29 -0.98 0.27 -0.21 0.00 0.00 178.00 177.97 1fdd n ASN 30 N -5.00 0.88 -3.51 -2.05 0.23 -1.26 -5.04 115.26 99.50 1fdd n ASN 30 Ca 0.19 -2.00 -0.12 0.00 -0.53 0.00 0.00 54.58 52.12 1fdd n ASN 30 Cb 0.55 -0.26 -0.04 0.00 -2.08 0.00 0.00 39.78 37.95 1fdd n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1fdd s PHE 31 N -0.42 -0.45 0.16 -2.53 5.36 -1.24 -1.15 117.98 117.70 1fdd s PHE 31 Ca 0.30 0.53 0.11 0.00 -0.96 0.00 0.00 56.93 56.91 1fdd s PHE 31 Cb 0.35 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.48 1fdd s PHE 31 CO -0.14 -0.56 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.31 1fdd s LEU 32 N -1.91 2.42 0.13 6.12 1.43 -1.26 -1.26 118.68 124.36 1fdd s LEU 32 Ca -0.01 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.37 1fdd s LEU 32 Cb -0.01 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1fdd s LEU 32 CO -0.03 0.15 -0.16 0.68 0.23 0.00 0.00 176.35 177.22 1fdd s VAL 33 N -1.38 1.51 -0.21 -1.59 -7.23 -0.71 -4.74 120.40 106.04 1fdd s VAL 33 Ca 0.18 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1fdd s VAL 33 Cb -0.09 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1fdd s VAL 33 CO 0.08 -0.36 0.20 -0.63 -0.31 0.00 0.00 175.10 174.08 1fdd s ILE 34 N -2.05 5.35 -0.18 -0.62 1.01 -1.26 -0.95 121.20 122.49 1fdd s ILE 34 Ca 0.11 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.78 1fdd s ILE 34 Cb -0.05 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1fdd s ILE 34 CO 0.04 0.38 1.32 -2.28 0.00 0.00 0.00 174.94 174.40 1fdd s HIS 35 N 0.74 2.70 0.33 3.97 5.65 0.10 -4.53 115.29 124.25 1fdd s HIS 35 Ca 0.11 0.88 0.22 0.00 0.25 0.00 0.00 55.06 56.52 1fdd s HIS 35 Cb -0.13 -3.64 1.09 0.00 -1.18 0.00 0.00 32.58 28.72 1fdd s HIS 35 CO 0.02 -1.96 1.93 -1.00 -0.65 0.00 0.00 174.74 173.08 1fdd h PRO 36 N 8.66 0.00 -0.06 2.88 0.13 -1.89 -2.19 132.00 139.53 1fdd h PRO 36 Ca -0.28 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 1fdd h PRO 36 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1fdd h PRO 36 CO 0.98 0.23 -0.68 -0.44 -0.23 0.00 0.00 178.00 177.85 1fdd h ASP 37 N 0.00 0.30 0.66 1.44 3.32 -1.99 -3.32 116.42 116.83 1fdd h ASP 37 Ca -0.00 -0.19 -0.27 0.00 0.02 0.00 0.00 57.03 56.59 1fdd h ASP 37 Cb 0.54 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1fdd h ASP 37 CO 0.03 0.90 -1.44 -0.33 -1.72 0.00 0.00 179.24 176.68 1fdd h GLU 38 N 0.18 0.04 -6.85 3.56 5.08 -1.87 -3.47 114.58 111.25 1fdd h GLU 38 Ca -0.02 -0.06 -0.53 0.00 -1.00 0.00 0.00 59.36 57.75 1fdd h GLU 38 Cb 1.23 0.02 0.09 0.00 0.50 0.00 0.00 28.75 30.59 1fdd h GLU 38 CO 0.11 0.77 0.84 0.00 -1.00 0.00 0.00 179.01 179.72 1fdd n ILE 40 N 1.58 1.94 -3.38 0.00 -5.35 -1.26 -4.79 119.36 108.10 1fdd n ILE 40 Ca 0.05 -1.35 -0.24 0.00 -0.27 0.00 0.00 62.75 60.94 1fdd n ILE 40 Cb 0.38 0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.34 1fdd n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1fdd n ASP 41 N 0.60 -4.56 0.07 7.28 8.00 -1.26 -4.87 116.55 121.81 1fdd n ASP 41 Ca 0.23 -0.44 0.10 0.00 0.71 0.00 0.00 54.79 55.39 1fdd n ASP 41 Cb 0.86 -3.71 0.42 0.00 -0.02 0.00 0.00 41.12 38.67 1fdd n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fdd n ALA 43 N -1.64 -0.06 -0.11 0.00 0.00 -1.26 -4.89 120.51 112.55 1fdd n ALA 43 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1fdd n ALA 43 Cb 0.22 -1.47 0.13 0.00 0.00 0.00 0.00 19.45 18.34 1fdd n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fdd h LEU 44 N 0.00 0.79 -1.25 0.00 4.07 -1.91 -3.05 115.31 113.96 1fdd h LEU 44 Ca -0.08 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 57.62 1fdd h LEU 44 Cb 0.97 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1fdd h LEU 44 CO 0.12 0.89 -0.21 0.00 -1.08 0.00 0.00 178.44 178.15 1fdd h GLU 46 N 0.00 1.08 0.00 0.00 4.81 -1.88 -1.75 114.58 116.84 1fdd h GLU 46 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1fdd h GLU 46 Cb 0.68 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1fdd h GLU 46 CO 0.03 1.01 0.00 -1.35 -0.73 0.00 0.00 179.01 177.97 1fdd h PRO 47 N 1.00 0.00 0.00 0.92 0.11 -1.77 -3.16 132.00 129.09 1fdd h PRO 47 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1fdd h PRO 47 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1fdd h PRO 47 CO 0.02 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 178.56 1fdd h GLU 48 N 0.00 0.00 -6.26 1.05 4.39 -1.48 -3.45 114.58 108.83 1fdd h GLU 48 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1fdd h GLU 48 Cb 0.53 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 1fdd h GLU 48 CO 0.00 0.00 0.74 0.00 -1.16 0.00 0.00 179.01 178.59 1fdd h PRO 50 N 8.45 0.46 -0.01 0.00 0.11 -1.92 -1.25 132.00 137.84 1fdd h PRO 50 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1fdd h PRO 50 Cb 1.07 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1fdd h PRO 50 CO 1.02 0.30 -0.01 0.00 -0.21 0.00 0.00 178.00 179.10 1fdd n ALA 51 N -2.51 2.65 -4.40 -0.75 0.00 -1.26 -4.90 120.51 109.34 1fdd n ALA 51 Ca 0.12 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 1fdd n ALA 51 Cb 0.41 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 1fdd n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fdd n GLN 52 N -0.44 -1.73 0.02 0.00 1.13 -0.47 -4.82 117.38 111.07 1fdd n GLN 52 Ca 0.21 0.23 0.12 0.00 -1.94 0.00 0.00 57.00 55.62 1fdd n GLN 52 Cb 0.24 -4.80 0.23 0.00 0.11 0.00 0.00 30.24 26.02 1fdd n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fdd n ALA 53 N -4.22 3.25 -2.65 -1.58 0.00 -1.26 -4.88 120.51 109.17 1fdd n ALA 53 Ca 0.07 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1fdd n ALA 53 Cb 0.49 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 1fdd n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fdd s ILE 54 N -3.07 5.21 0.03 0.00 1.01 -1.26 -1.32 121.20 121.80 1fdd s ILE 54 Ca 0.09 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.37 1fdd s ILE 54 Cb 0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1fdd s ILE 54 CO 0.71 0.56 -0.05 -0.36 0.00 0.00 0.00 174.94 175.79 1fdd s PHE 55 N -0.79 0.42 0.46 3.97 0.40 -0.70 -4.91 117.98 116.83 1fdd s PHE 55 Ca 0.20 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.79 1fdd s PHE 55 Cb -0.15 -0.27 -0.08 0.00 0.51 0.00 0.00 43.02 43.03 1fdd s PHE 55 CO 0.09 -0.14 1.38 0.45 0.70 0.00 0.00 175.22 177.70 1fdd s SER 56 N -1.45 5.85 0.54 1.36 0.15 -1.26 -0.32 113.70 118.58 1fdd s SER 56 Ca -0.13 2.81 0.28 0.00 0.70 0.00 0.00 55.95 59.61 1fdd s SER 56 Cb -0.10 -2.64 1.53 0.00 -1.71 0.00 0.00 66.02 63.10 1fdd s SER 56 CO -0.00 -1.18 2.11 1.05 1.20 0.00 0.00 173.24 176.42 1fdd h GLU 57 N 2.21 0.00 0.00 5.44 4.11 -1.53 0.22 114.58 125.04 1fdd h GLU 57 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1fdd h GLU 57 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1fdd h GLU 57 CO 0.61 0.09 0.00 -0.40 0.07 0.00 0.00 179.01 179.38 1fdd n ASP 58 N -3.68 0.07 -0.53 3.06 5.68 -1.26 -2.50 116.55 117.39 1fdd n ASP 58 Ca -0.02 0.51 0.06 0.00 -0.50 0.00 0.00 54.79 54.84 1fdd n ASP 58 Cb 0.20 -0.53 0.06 0.00 -1.14 0.00 0.00 41.12 39.72 1fdd n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1fdd n GLU 59 N -1.57 0.97 -1.70 0.11 1.02 0.72 -5.02 120.64 115.16 1fdd n GLU 59 Ca 0.06 -1.34 -0.44 0.00 -0.02 0.00 0.00 57.16 55.42 1fdd n GLU 59 Cb 0.32 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1fdd n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1fdd n VAL 60 N 0.72 0.87 -1.64 2.62 0.31 -0.76 -4.85 118.33 115.60 1fdd n VAL 60 Ca 0.08 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.82 1fdd n VAL 60 Cb 0.33 -1.68 0.06 0.00 -0.91 0.00 0.00 33.84 31.64 1fdd n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1fdd n PRO 61 N 2.25 0.93 -0.36 5.55 -0.02 -1.26 -4.86 135.00 137.23 1fdd n PRO 61 Ca 0.11 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1fdd n PRO 61 Cb 0.33 -2.34 0.20 0.00 -0.02 0.00 0.00 33.50 31.67 1fdd n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1fdd h GLU 62 N 0.39 1.09 -0.00 -0.52 4.22 -2.01 -0.60 114.58 117.16 1fdd h GLU 62 Ca -0.50 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1fdd h GLU 62 Cb 1.35 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1fdd h GLU 62 CO 0.51 0.72 0.00 -0.40 -2.18 0.00 0.00 179.01 177.66 1fdd n ASP 63 N -4.53 0.00 -0.09 1.04 5.75 -1.26 -3.40 116.55 114.07 1fdd n ASP 63 Ca 0.16 -1.51 0.05 0.00 -0.01 0.00 0.00 54.79 53.48 1fdd n ASP 63 Cb 0.23 -0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1fdd n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1fdd n MET 64 N -0.74 1.62 0.25 0.11 2.81 -0.24 -4.81 117.12 116.12 1fdd n MET 64 Ca 0.12 -1.95 0.07 0.00 -1.81 0.00 0.00 57.70 54.13 1fdd n MET 64 Cb 0.05 -1.18 0.60 0.00 -0.71 0.00 0.00 33.22 31.99 1fdd n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1fdd h GLN 65 N 0.00 0.00 -0.31 0.03 1.08 -1.55 -0.26 115.11 114.10 1fdd h GLN 65 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1fdd h GLN 65 Cb 0.88 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1fdd h GLN 65 CO 0.00 0.06 0.27 1.05 -0.95 0.00 0.00 178.83 179.26 1fdd h GLU 66 N 0.00 0.00 0.00 1.46 9.09 -1.88 -2.43 114.58 120.81 1fdd h GLU 66 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1fdd h GLU 66 Cb 0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1fdd h GLU 66 CO 0.01 0.00 -0.15 0.74 0.05 0.00 0.00 179.01 179.66 1fdd h PHE 67 N 0.00 0.00 0.19 2.06 0.04 -1.39 -1.67 116.94 116.18 1fdd h PHE 67 Ca 0.15 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1fdd h PHE 67 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1fdd h PHE 67 CO 0.00 0.15 -0.09 0.82 -0.60 0.00 0.00 178.31 178.59 1fdd h ILE 68 N 0.00 0.84 -0.27 -0.55 2.04 -1.62 0.15 117.51 118.09 1fdd h ILE 68 Ca -0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1fdd h ILE 68 Cb 0.38 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1fdd h ILE 68 CO 0.02 0.03 0.09 -0.61 0.00 0.00 0.00 178.15 177.67 1fdd h GLN 69 N -0.32 0.43 -0.90 2.37 4.15 -1.69 -2.69 115.11 116.46 1fdd h GLN 69 Ca -0.03 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.36 1fdd h GLN 69 Cb 0.24 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 1fdd h GLN 69 CO 0.04 0.49 0.57 1.25 -1.93 0.00 0.00 178.83 179.25 1fdd h LEU 70 N 0.28 0.90 -0.76 -2.39 6.46 -1.04 -0.34 115.31 118.43 1fdd h LEU 70 Ca 0.09 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.78 1fdd h LEU 70 Cb 0.24 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1fdd h LEU 70 CO -0.00 0.58 0.01 0.78 -0.62 0.00 0.00 178.44 179.19 1fdd h ASN 71 N 1.04 0.92 -0.57 1.25 -0.26 -0.58 -0.64 115.58 116.75 1fdd h ASN 71 Ca 0.39 -0.24 -0.11 0.00 -0.56 0.00 0.00 56.30 55.78 1fdd h ASN 71 Cb 0.16 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1fdd h ASN 71 CO -0.17 0.97 -0.06 0.00 -1.06 0.00 0.00 177.43 177.12 1fdd h ALA 72 N 1.12 0.77 0.00 -0.83 0.00 -0.79 -2.25 119.26 117.28 1fdd h ALA 72 Ca 0.16 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1fdd h ALA 72 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1fdd h ALA 72 CO 0.02 0.65 -0.97 1.05 0.00 0.00 0.00 179.25 180.00 1fdd h GLU 73 N 0.93 0.00 0.00 0.00 4.11 -0.91 -3.24 114.58 115.47 1fdd h GLU 73 Ca 0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 1fdd h GLU 73 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1fdd h GLU 73 CO 0.04 0.58 -0.41 -0.07 0.07 0.00 0.00 179.01 179.22 1fdd h LEU 74 N 0.00 0.00 -2.08 3.06 3.38 -1.09 -2.88 115.31 115.70 1fdd h LEU 74 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1fdd h LEU 74 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1fdd h LEU 74 CO 0.08 0.41 -0.08 0.00 0.09 0.00 0.00 178.44 178.94 1fdd h ALA 75 N 1.59 1.22 0.00 1.53 0.00 -1.43 0.16 119.26 122.34 1fdd h ALA 75 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fdd h ALA 75 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1fdd h ALA 75 CO 0.05 0.09 0.00 0.93 0.00 0.00 0.00 179.25 180.33 1fdd h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.57 -3.37 114.58 114.03 1fdd h GLU 76 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1fdd h GLU 76 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1fdd h GLU 76 CO 0.01 0.00 -1.20 1.33 -1.16 0.00 0.00 179.01 177.99 1fdd n VAL 77 N -2.68 0.05 -3.36 3.13 0.24 0.39 -5.02 118.33 111.09 1fdd n VAL 77 Ca 0.04 -0.10 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 1fdd n VAL 77 Cb 0.45 0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 1fdd n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1fdd s TRP 78 N -2.24 3.49 0.59 6.34 0.51 -0.28 -5.09 118.94 122.26 1fdd s TRP 78 Ca -0.02 0.49 -0.18 0.00 -2.12 0.00 0.00 56.10 54.27 1fdd s TRP 78 Cb 0.02 -1.99 -0.04 0.00 -0.81 0.00 0.00 33.47 30.66 1fdd s TRP 78 CO 0.16 0.15 1.13 -1.25 -0.51 0.00 0.00 176.95 176.63 1fdd s PRO 79 N -3.93 3.12 0.17 4.98 0.04 -1.26 -4.67 135.00 133.45 1fdd s PRO 79 Ca 0.42 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1fdd s PRO 79 Cb -0.10 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1fdd s PRO 79 CO 0.33 -1.03 1.30 1.21 0.04 0.00 0.00 177.00 178.86 1fdd s ASN 80 N -2.03 6.92 -0.16 6.66 3.04 -1.26 -0.25 114.94 127.86 1fdd s ASN 80 Ca 0.71 2.33 -0.01 0.00 0.04 0.00 0.00 52.86 55.94 1fdd s ASN 80 Cb -0.23 -2.60 -0.01 0.00 -1.54 0.00 0.00 41.25 36.86 1fdd s ASN 80 CO 0.32 -0.53 -0.11 -0.51 -3.04 0.00 0.00 177.10 173.24 1fdd s ILE 81 N 0.37 3.09 0.00 -5.21 2.07 -0.62 -4.82 121.20 116.07 1fdd s ILE 81 Ca 0.58 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1fdd s ILE 81 Cb -0.35 -2.33 0.00 0.00 0.13 0.00 0.00 42.46 39.91 1fdd s ILE 81 CO 0.36 0.50 0.73 0.35 -1.91 0.00 0.00 174.94 174.96 1fdd n THR 82 N 3.96 0.51 -4.43 4.00 -2.24 -1.26 -4.53 114.28 110.29 1fdd n THR 82 Ca -0.18 -0.69 -0.20 0.00 -2.27 0.00 0.00 64.05 60.71 1fdd n THR 82 Cb 0.52 0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 69.40 1fdd n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fdd s GLU 83 N -0.51 0.90 0.79 -0.78 0.41 -1.26 -4.82 118.70 113.43 1fdd s GLU 83 Ca 0.00 -0.35 -0.14 0.00 -0.41 0.00 0.00 54.97 54.07 1fdd s GLU 83 Cb 0.00 -0.86 0.07 0.00 -1.78 0.00 0.00 34.13 31.57 1fdd s GLU 83 CO 0.00 0.19 1.20 0.21 -0.49 0.00 0.00 175.26 176.37 1fdd s LYS 84 N -0.09 1.76 0.28 1.61 2.20 -1.26 -4.99 119.74 119.26 1fdd s LYS 84 Ca 0.01 1.74 0.02 0.00 -0.36 0.00 0.00 55.97 57.38 1fdd s LYS 84 Cb -0.06 -1.79 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 1fdd s LYS 84 CO -0.00 -2.12 0.10 0.15 -0.36 0.00 0.00 175.35 173.13 1fdd s LYS 85 N -4.12 1.50 0.55 4.03 1.02 -1.26 -5.11 119.74 116.35 1fdd s LYS 85 Ca 0.73 -1.83 -0.19 0.00 0.02 0.00 0.00 55.97 54.70 1fdd s LYS 85 Cb -0.28 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 1fdd s LYS 85 CO 0.49 -0.32 1.11 -0.51 -0.92 0.00 0.00 175.35 175.21 1fdd s ASP 86 N -3.36 5.76 1.02 2.83 1.01 -1.26 -4.71 116.67 117.96 1fdd s ASP 86 Ca 0.37 2.09 -0.14 0.00 0.71 0.00 0.00 52.55 55.58 1fdd s ASP 86 Cb 0.07 -2.57 0.12 0.00 1.01 0.00 0.00 42.92 41.55 1fdd s ASP 86 CO 0.15 -1.19 0.58 -2.65 0.21 0.00 0.00 175.17 172.27 1fdd n PRO 87 N -1.43 -1.02 -2.10 8.23 -0.02 -1.26 -4.91 135.00 132.50 1fdd n PRO 87 Ca 0.11 -0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 60.97 1fdd n PRO 87 Cb 0.51 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1fdd n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fdd s LEU 88 N -3.41 3.71 0.46 2.45 1.43 -0.70 -4.82 118.68 117.79 1fdd s LEU 88 Ca 0.61 2.32 0.22 0.00 -1.03 0.00 0.00 54.13 56.25 1fdd s LEU 88 Cb -0.20 -4.58 1.22 0.00 0.03 0.00 0.00 46.19 42.66 1fdd s LEU 88 CO 0.65 -1.45 1.88 -0.65 0.23 0.00 0.00 176.35 177.00 1fdd h PRO 89 N 1.03 0.25 -0.01 1.29 0.11 -1.91 0.11 132.00 132.87 1fdd h PRO 89 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1fdd h PRO 89 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1fdd h PRO 89 CO 0.56 0.17 -0.18 -3.47 -0.21 0.00 0.00 178.00 174.86 1fdd n ASP 90 N -4.43 1.51 -0.33 -2.05 2.03 -1.26 -4.70 116.55 107.31 1fdd n ASP 90 Ca 0.18 -1.28 0.19 0.00 0.52 0.00 0.00 54.79 54.40 1fdd n ASP 90 Cb 0.76 0.13 0.43 0.00 -0.72 0.00 0.00 41.12 41.72 1fdd n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fdd h ALA 91 N 4.02 1.97 0.00 -1.67 0.00 -1.11 0.17 119.26 122.64 1fdd h ALA 91 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fdd h ALA 91 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1fdd h ALA 91 CO 0.00 -0.39 -0.35 0.93 0.00 0.00 0.00 179.25 179.43 1fdd h GLU 92 N 0.53 0.00 0.02 0.00 3.07 -1.84 -1.97 114.58 114.39 1fdd h GLU 92 Ca 0.61 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.27 1fdd h GLU 92 Cb 1.29 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1fdd h GLU 92 CO -0.37 0.00 -0.92 -0.44 -1.40 0.00 0.00 179.01 175.87 1fdd h ASP 93 N 0.00 0.17 0.91 1.42 3.32 -1.33 -3.26 116.42 117.64 1fdd h ASP 93 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1fdd h ASP 93 Cb 0.97 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1fdd h ASP 93 CO 0.00 1.00 -0.38 0.79 -1.72 0.00 0.00 179.24 178.93 1fdd n TRP 94 N -3.57 0.40 -2.20 4.55 7.02 -1.02 -4.77 117.44 117.85 1fdd n TRP 94 Ca -0.03 0.12 -0.43 0.00 -1.02 0.00 0.00 57.50 56.14 1fdd n TRP 94 Cb 0.85 -0.59 -0.02 0.00 -2.42 0.00 0.00 31.31 29.13 1fdd n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1fdd s ASP 95 N -3.79 6.33 0.00 -0.99 -1.08 -0.77 -2.05 116.67 114.32 1fdd s ASP 95 Ca 0.09 1.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1fdd s ASP 95 Cb 0.15 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1fdd s ASP 95 CO 0.66 -1.35 0.00 0.61 0.52 0.00 0.00 175.17 175.62 1fdd n GLY 96 N 4.83 0.60 3.72 2.66 0.00 -1.26 -5.02 105.19 110.72 1fdd n GLY 96 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1fdd n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdd s VAL 97 N -2.00 4.54 0.52 1.61 1.01 -0.87 -5.04 120.40 120.17 1fdd s VAL 97 Ca 0.00 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 63.85 1fdd s VAL 97 Cb 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1fdd s VAL 97 CO 0.00 0.19 0.80 -1.59 0.00 0.00 0.00 175.10 174.50 1fdd s LYS 98 N 0.70 3.10 -0.97 2.72 -2.85 -1.26 -4.42 119.74 116.76 1fdd s LYS 98 Ca 0.52 -0.12 -0.01 0.00 -1.00 0.00 0.00 55.97 55.36 1fdd s LYS 98 Cb -0.24 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 1fdd s LYS 98 CO 0.29 -0.45 0.19 0.41 0.10 0.00 0.00 175.35 175.89 1fdd n GLY 99 N -2.35 -0.07 0.00 0.59 0.00 -1.26 -4.93 105.19 97.17 1fdd n GLY 99 Ca 0.03 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1fdd n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fdd n LYS 100 N -2.43 0.48 0.08 1.61 5.02 -1.26 -3.31 118.16 118.34 1fdd n LYS 100 Ca -0.10 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.32 1fdd n LYS 100 Cb 0.59 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.68 1fdd n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fdd h LEU 101 N 0.00 0.17 -1.01 -0.35 5.85 -1.91 0.33 115.31 118.39 1fdd h LEU 101 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fdd h LEU 101 Cb 0.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1fdd h LEU 101 CO 0.00 0.12 0.00 0.06 -0.34 0.00 0.00 178.44 178.28 1fdd h GLN 102 N 0.20 0.00 -0.13 1.25 3.07 -1.98 -1.53 115.11 115.99 1fdd h GLN 102 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1fdd h GLN 102 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1fdd h GLN 102 CO -0.02 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.62 1fdd n HIS 103 N -2.33 0.16 -2.23 0.06 8.25 0.10 -4.98 115.22 114.25 1fdd n HIS 103 Ca 0.01 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1fdd n HIS 103 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1fdd n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fdd s LEU 104 N -1.78 4.46 -0.11 2.41 2.96 -0.58 -4.94 118.68 121.11 1fdd s LEU 104 Ca 0.34 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 56.80 1fdd s LEU 104 Cb 0.20 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 1fdd s LEU 104 CO 0.30 -0.42 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.14 1fdd s GLU 105 N -1.49 3.15 0.00 1.98 2.02 -1.26 -5.11 118.70 117.99 1fdd s GLU 105 Ca 0.49 -0.74 0.31 0.00 0.02 0.00 0.00 54.97 55.04 1fdd s GLU 105 Cb -0.37 -2.50 1.62 0.00 0.10 0.00 0.00 34.13 32.98 1fdd s GLU 105 CO 0.48 0.27 2.07 -2.13 0.02 0.00 0.00 175.26 175.97