#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftc s PHE 2 N 0.00 3.47 -0.02 0.00 0.40 -1.26 -1.01 117.98 119.56 1ftc s PHE 2 Ca 0.00 0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1ftc s PHE 2 Cb 0.00 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.92 1ftc s PHE 2 CO 0.00 0.48 -0.01 0.08 0.70 0.00 0.00 175.22 176.46 1ftc s VAL 3 N -1.86 0.20 -0.11 -0.44 1.01 0.50 -4.68 120.40 115.02 1ftc s VAL 3 Ca 0.34 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1ftc s VAL 3 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1ftc s VAL 3 CO 0.29 0.11 0.66 -0.69 0.00 0.00 0.00 175.10 175.47 1ftc s VAL 4 N 0.54 5.05 0.00 2.92 1.01 -1.26 -1.10 120.40 127.56 1ftc s VAL 4 Ca -0.05 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1ftc s VAL 4 Cb -0.08 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1ftc s VAL 4 CO -0.01 0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.65 1ftc n THR 5 N 4.04 0.00 -0.24 3.92 -2.24 0.34 -4.89 114.28 115.21 1ftc n THR 5 Ca -0.02 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 1ftc n THR 5 Cb 0.51 -0.24 0.53 0.00 -2.10 0.00 0.00 70.33 69.03 1ftc n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ftc h ASP 6 N 0.00 0.37 0.79 3.42 3.58 -1.94 -3.01 116.42 119.64 1ftc h ASP 6 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ftc h ASP 6 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1ftc h ASP 6 CO 0.00 0.15 0.00 -3.20 -2.88 0.00 0.00 179.24 173.31 1ftc n ASN 7 N -4.49 0.00 0.07 2.28 5.15 -1.26 -2.15 115.26 114.85 1ftc n ASN 7 Ca 0.19 0.42 -0.05 0.00 -0.60 0.00 0.00 54.58 54.54 1ftc n ASN 7 Cb 0.72 -0.47 0.15 0.00 -0.53 0.00 0.00 39.78 39.65 1ftc n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ftc s ILE 9 N -3.99 2.20 0.00 0.00 1.01 -0.91 -1.01 121.20 118.50 1ftc s ILE 9 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ftc s ILE 9 Cb 0.12 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1ftc s ILE 9 CO 0.79 0.00 0.00 0.29 0.00 0.00 0.00 174.94 176.03 1ftc n LYS 10 N 4.48 -0.27 -0.07 2.79 5.02 -0.08 -4.76 118.16 125.27 1ftc n LYS 10 Ca 0.16 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.41 1ftc n LYS 10 Cb 0.36 -3.66 -0.04 0.00 -0.02 0.00 0.00 35.03 31.68 1ftc n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ftc n LYS 12 N -4.24 -0.51 0.00 0.00 4.81 -0.28 -1.52 118.16 116.41 1ftc n LYS 12 Ca -0.18 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1ftc n LYS 12 Cb 0.50 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.71 1ftc n LYS 12 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ftc n THR 14 N 1.32 0.00 0.08 3.15 -2.24 -1.26 -3.83 114.28 111.50 1ftc n THR 14 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1ftc n THR 14 Cb 0.00 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.59 1ftc n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ftc h ASP 15 N 0.00 0.31 -0.81 3.42 3.32 -1.88 -2.56 116.42 118.22 1ftc h ASP 15 Ca 0.00 -0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.15 1ftc h ASP 15 Cb 0.00 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1ftc h ASP 15 CO 0.00 0.44 0.54 0.00 -1.72 0.00 0.00 179.24 178.50 1ftc h VAL 17 N 0.46 1.20 -0.30 0.00 -1.51 -1.84 -3.07 116.25 111.20 1ftc h VAL 17 Ca 0.40 -1.29 0.06 0.00 -1.23 0.00 0.00 66.70 64.65 1ftc h VAL 17 Cb 0.89 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 1ftc h VAL 17 CO -0.15 0.36 0.21 -0.08 -1.23 0.00 0.00 177.57 176.68 1ftc h GLU 18 N 0.00 0.11 -0.01 5.19 4.57 -1.62 -2.48 114.58 120.34 1ftc h GLU 18 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ftc h GLU 18 Cb 0.68 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1ftc h GLU 18 CO 0.05 0.07 -0.69 1.55 -1.18 0.00 0.00 179.01 178.81 1ftc n VAL 19 N -4.47 0.00 -2.63 0.32 3.14 -1.16 -4.92 118.33 108.60 1ftc n VAL 19 Ca 0.03 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 60.89 1ftc n VAL 19 Cb 0.29 0.93 -0.02 0.00 -1.06 0.00 0.00 33.84 33.97 1ftc n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ftc h PRO 21 N 7.35 0.04 -0.36 0.00 0.13 -1.91 -3.26 132.00 133.99 1ftc h PRO 21 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1ftc h PRO 21 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ftc h PRO 21 CO 0.91 0.72 0.00 1.33 -0.23 0.00 0.00 178.00 180.73 1ftc n VAL 22 N -3.73 0.49 -3.84 1.56 0.24 -1.26 -5.01 118.33 106.79 1ftc n VAL 22 Ca -0.01 -0.75 -0.25 0.00 -2.04 0.00 0.00 64.34 61.29 1ftc n VAL 22 Cb 0.68 0.99 0.01 0.00 -1.47 0.00 0.00 33.84 34.05 1ftc n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ftc n ASP 23 N 1.42 -1.60 -1.90 -1.34 8.00 -1.23 -4.92 116.55 114.98 1ftc n ASP 23 Ca 0.18 -0.88 -0.00 0.00 0.71 0.00 0.00 54.79 54.80 1ftc n ASP 23 Cb 0.59 -3.66 0.33 0.00 -0.02 0.00 0.00 41.12 38.36 1ftc n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc s PHE 25 N -2.77 3.62 0.08 0.00 0.40 -1.26 -0.90 117.98 117.15 1ftc s PHE 25 Ca 0.52 0.74 0.08 0.00 -0.60 0.00 0.00 56.93 57.66 1ftc s PHE 25 Cb 0.41 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1ftc s PHE 25 CO 0.14 0.60 -0.21 0.71 0.70 0.00 0.00 175.22 177.16 1ftc s TYR 26 N -0.74 1.80 -0.15 0.36 1.51 -0.08 -1.97 117.35 118.09 1ftc s TYR 26 Ca 0.19 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1ftc s TYR 26 Cb -0.14 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1ftc s TYR 26 CO 0.08 0.16 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.56 1ftc s GLU 27 N -1.60 3.38 0.43 -0.62 2.12 0.45 -1.21 118.70 121.65 1ftc s GLU 27 Ca 0.07 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 54.80 1ftc s GLU 27 Cb -0.09 -2.70 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 1ftc s GLU 27 CO 0.03 0.14 0.45 0.20 -0.54 0.00 0.00 175.26 175.54 1ftc s GLY 28 N 0.56 2.07 0.31 -1.50 0.00 -0.09 -4.12 107.32 104.56 1ftc s GLY 28 Ca -0.08 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.91 1ftc s GLY 28 CO 0.03 -1.64 1.68 -2.55 0.00 0.00 0.00 173.10 170.63 1ftc h PRO 29 N 0.87 0.36 0.00 2.90 0.11 -1.89 -3.34 132.00 131.01 1ftc h PRO 29 Ca -0.40 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1ftc h PRO 29 Cb 1.27 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1ftc h PRO 29 CO 0.53 0.24 -0.64 0.27 -0.21 0.00 0.00 178.00 178.18 1ftc n ASN 30 N -5.06 0.30 -3.73 -2.05 6.94 -1.26 -5.03 115.26 105.37 1ftc n ASN 30 Ca 0.26 -1.91 -0.09 0.00 -0.02 0.00 0.00 54.58 52.82 1ftc n ASN 30 Cb 0.78 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.00 1ftc n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1ftc s PHE 31 N 0.00 -0.28 0.08 -2.53 5.36 -1.25 -0.90 117.98 118.46 1ftc s PHE 31 Ca 0.13 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1ftc s PHE 31 Cb 0.14 0.64 -0.03 0.00 -0.34 0.00 0.00 43.02 43.43 1ftc s PHE 31 CO -0.06 -1.10 -0.12 -0.51 -1.46 0.00 0.00 175.22 171.96 1ftc s LEU 32 N -2.87 2.34 0.15 6.12 1.02 -1.26 -0.91 118.68 123.27 1ftc s LEU 32 Ca 0.08 -0.70 0.06 0.00 0.02 0.00 0.00 54.13 53.59 1ftc s LEU 32 Cb -0.04 -0.39 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 1ftc s LEU 32 CO 0.01 -0.17 -0.13 0.68 0.02 0.00 0.00 176.35 176.76 1ftc s VAL 33 N -1.83 1.42 -0.20 -1.59 -7.23 -0.35 -4.73 120.40 105.90 1ftc s VAL 33 Ca 0.01 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1ftc s VAL 33 Cb -0.07 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1ftc s VAL 33 CO 0.01 -0.57 0.03 -0.63 -0.31 0.00 0.00 175.10 173.64 1ftc s ILE 34 N -2.74 4.34 -0.28 -0.62 1.01 -1.26 -0.90 121.20 120.74 1ftc s ILE 34 Ca 0.15 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 1ftc s ILE 34 Cb -0.01 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1ftc s ILE 34 CO 0.03 0.43 1.52 -2.28 0.00 0.00 0.00 174.94 174.65 1ftc s HIS 35 N 0.78 2.27 0.53 3.97 5.65 -0.08 -4.48 115.29 123.93 1ftc s HIS 35 Ca 0.02 0.66 0.38 0.00 0.25 0.00 0.00 55.06 56.36 1ftc s HIS 35 Cb -0.14 -4.03 2.01 0.00 -1.18 0.00 0.00 32.58 29.23 1ftc s HIS 35 CO 0.02 -2.46 2.25 -1.00 -0.65 0.00 0.00 174.74 172.90 1ftc h PRO 36 N 10.59 0.00 0.00 2.88 0.13 -1.89 -1.68 132.00 142.03 1ftc h PRO 36 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ftc h PRO 36 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ftc h PRO 36 CO 1.03 0.02 -0.66 -0.44 -0.23 0.00 0.00 178.00 177.72 1ftc h ASP 37 N 0.00 0.00 0.00 1.44 3.32 -1.99 -3.36 116.42 115.83 1ftc h ASP 37 Ca -0.00 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.68 1ftc h ASP 37 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1ftc h ASP 37 CO 0.00 0.11 -1.92 -0.62 -1.72 0.00 0.00 179.24 175.09 1ftc n GLU 38 N -2.13 1.04 -1.74 3.56 1.02 -0.69 -4.96 120.64 116.74 1ftc n GLU 38 Ca 0.03 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 1ftc n GLU 38 Cb 0.44 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 1ftc n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ftc n ILE 40 N 2.92 2.44 -3.63 0.00 -5.35 -1.26 -4.83 119.36 109.65 1ftc n ILE 40 Ca 0.11 -1.38 -0.27 0.00 -0.27 0.00 0.00 62.75 60.95 1ftc n ILE 40 Cb 0.36 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.11 1ftc n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ftc n ASP 41 N 0.70 -3.34 0.22 7.28 8.00 -1.26 -4.85 116.55 123.29 1ftc n ASP 41 Ca 0.27 -0.57 0.15 0.00 0.71 0.00 0.00 54.79 55.35 1ftc n ASP 41 Cb 1.08 -2.77 0.65 0.00 -0.02 0.00 0.00 41.12 40.06 1ftc n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc n ALA 43 N -1.95 -0.10 0.14 0.00 0.00 -1.26 -4.89 120.51 112.46 1ftc n ALA 43 Ca 0.01 0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1ftc n ALA 43 Cb 0.24 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.38 1ftc n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ftc h LEU 44 N 0.00 0.00 -0.64 0.00 4.07 -1.92 -3.28 115.31 113.54 1ftc h LEU 44 Ca -0.13 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.68 1ftc h LEU 44 Cb 0.91 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1ftc h LEU 44 CO 0.19 0.53 -0.50 0.00 -1.08 0.00 0.00 178.44 177.58 1ftc h GLU 46 N 0.36 0.14 -0.02 0.00 4.11 -1.90 -0.53 114.58 116.74 1ftc h GLU 46 Ca 0.01 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 1ftc h GLU 46 Cb 1.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ftc h GLU 46 CO 0.09 0.51 -0.15 -1.35 0.07 0.00 0.00 179.01 178.18 1ftc h PRO 47 N 0.12 0.03 -0.28 1.06 0.11 -1.77 -3.28 132.00 127.99 1ftc h PRO 47 Ca 0.01 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1ftc h PRO 47 Cb 0.74 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1ftc h PRO 47 CO 0.06 0.18 -0.35 0.93 -0.21 0.00 0.00 178.00 178.60 1ftc h GLU 48 N 0.03 0.63 -6.18 1.05 4.39 -1.25 -3.44 114.58 109.81 1ftc h GLU 48 Ca 0.00 -0.30 -0.59 0.00 0.34 0.00 0.00 59.36 58.82 1ftc h GLU 48 Cb 0.28 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1ftc h GLU 48 CO 0.02 0.89 1.30 0.00 -1.16 0.00 0.00 179.01 180.06 1ftc h PRO 50 N 11.83 1.06 0.00 0.00 0.11 -1.92 -2.61 132.00 140.47 1ftc h PRO 50 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ftc h PRO 50 Cb 1.26 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ftc h PRO 50 CO 0.96 0.70 0.00 0.00 -0.21 0.00 0.00 178.00 179.45 1ftc n ALA 51 N -2.36 2.29 -4.18 -0.75 0.00 -1.26 -4.90 120.51 109.35 1ftc n ALA 51 Ca 0.14 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1ftc n ALA 51 Cb 0.19 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1ftc n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ftc n GLN 52 N -1.08 -2.88 0.00 0.00 6.02 -0.98 -4.84 117.38 113.61 1ftc n GLN 52 Ca 0.15 0.34 0.11 0.00 -0.01 0.00 0.00 57.00 57.60 1ftc n GLN 52 Cb 0.11 -4.81 0.13 0.00 1.02 0.00 0.00 30.24 26.69 1ftc n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ftc n ALA 53 N -4.39 3.91 -2.57 -1.58 0.00 -1.26 -4.91 120.51 109.71 1ftc n ALA 53 Ca -0.05 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1ftc n ALA 53 Cb 0.55 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1ftc n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ftc s ILE 54 N -2.95 5.09 0.03 0.00 1.01 -1.26 -0.51 121.20 122.62 1ftc s ILE 54 Ca 0.11 0.55 -0.04 0.00 0.00 0.00 0.00 60.65 61.27 1ftc s ILE 54 Cb 0.17 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1ftc s ILE 54 CO 0.74 0.38 0.07 -0.36 0.00 0.00 0.00 174.94 175.77 1ftc s PHE 55 N -1.30 0.21 0.51 3.97 0.40 -0.26 -4.89 117.98 116.63 1ftc s PHE 55 Ca 0.30 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.92 1ftc s PHE 55 Cb -0.15 -0.15 -0.06 0.00 0.51 0.00 0.00 43.02 43.17 1ftc s PHE 55 CO 0.16 -0.32 1.26 0.45 0.70 0.00 0.00 175.22 177.47 1ftc s SER 56 N -1.94 5.64 0.20 1.36 0.15 -1.26 -0.37 113.70 117.48 1ftc s SER 56 Ca -0.08 2.53 -0.14 0.00 0.70 0.00 0.00 55.95 58.96 1ftc s SER 56 Cb -0.03 -2.62 0.22 0.00 -1.71 0.00 0.00 66.02 61.88 1ftc s SER 56 CO -0.03 -1.30 1.63 -0.08 1.20 0.00 0.00 173.24 174.66 1ftc h GLU 57 N 1.65 0.00 0.00 5.44 4.81 -1.40 -1.23 114.58 123.85 1ftc h GLU 57 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ftc h GLU 57 Cb 1.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ftc h GLU 57 CO 0.58 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1ftc n ASP 58 N -5.42 0.00 -0.32 1.04 5.75 -1.26 -2.51 116.55 113.83 1ftc n ASP 58 Ca 0.07 0.49 0.03 0.00 -0.01 0.00 0.00 54.79 55.37 1ftc n ASP 58 Cb 0.31 -0.50 0.07 0.00 -1.03 0.00 0.00 41.12 39.97 1ftc n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ftc n GLU 59 N -1.50 2.12 -1.68 0.11 1.02 -0.51 -5.02 120.64 115.20 1ftc n GLU 59 Ca 0.03 -1.55 -0.47 0.00 -0.02 0.00 0.00 57.16 55.16 1ftc n GLU 59 Cb 0.16 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 1ftc n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ftc n VAL 60 N 0.12 0.36 -1.56 2.62 0.31 -0.95 -4.83 118.33 114.41 1ftc n VAL 60 Ca 0.06 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 1ftc n VAL 60 Cb 0.29 -1.79 0.02 0.00 -0.91 0.00 0.00 33.84 31.45 1ftc n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ftc n PRO 61 N 5.44 1.02 -0.19 5.55 -0.02 -1.26 -4.78 135.00 140.76 1ftc n PRO 61 Ca 0.20 0.37 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1ftc n PRO 61 Cb 0.30 -1.88 0.09 0.00 -0.02 0.00 0.00 33.50 32.00 1ftc n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ftc h GLU 62 N 1.14 0.33 0.00 -0.52 4.22 -2.01 0.41 114.58 118.16 1ftc h GLU 62 Ca -0.44 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1ftc h GLU 62 Cb 1.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ftc h GLU 62 CO 0.54 0.22 0.00 -0.40 -2.18 0.00 0.00 179.01 177.19 1ftc n ASP 63 N -5.04 0.00 -0.19 1.04 5.75 -1.26 -2.53 116.55 114.31 1ftc n ASP 63 Ca 0.07 -1.11 0.04 0.00 -0.01 0.00 0.00 54.79 53.79 1ftc n ASP 63 Cb 0.26 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.41 1ftc n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ftc n MET 64 N -0.65 0.98 0.02 0.11 2.81 0.12 -4.85 117.12 115.66 1ftc n MET 64 Ca 0.05 -1.69 0.13 0.00 -1.81 0.00 0.00 57.70 54.38 1ftc n MET 64 Cb 0.02 -1.00 0.57 0.00 -0.71 0.00 0.00 33.22 32.11 1ftc n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1ftc h GLN 65 N 0.00 0.22 -1.06 0.03 1.08 -1.35 -2.12 115.11 111.91 1ftc h GLN 65 Ca 0.00 -0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.49 1ftc h GLN 65 Cb 1.06 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.39 1ftc h GLN 65 CO 0.00 0.15 0.76 0.93 -0.95 0.00 0.00 178.83 179.71 1ftc h GLU 66 N 0.23 0.06 0.00 1.46 3.07 -1.88 -0.89 114.58 116.62 1ftc h GLU 66 Ca 0.20 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1ftc h GLU 66 Cb 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1ftc h GLU 66 CO -0.04 0.04 0.00 0.74 -1.40 0.00 0.00 179.01 178.35 1ftc h PHE 67 N 0.06 0.00 0.03 4.33 0.04 -1.73 -2.03 116.94 117.64 1ftc h PHE 67 Ca 0.52 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 1ftc h PHE 67 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1ftc h PHE 67 CO -0.00 0.00 -0.02 0.82 -0.60 0.00 0.00 178.31 178.51 1ftc h ILE 68 N 0.00 1.28 -0.01 -0.55 2.04 -1.36 -0.81 117.51 118.09 1ftc h ILE 68 Ca 0.00 -1.02 -0.18 0.00 1.00 0.00 0.00 64.86 64.67 1ftc h ILE 68 Cb 0.46 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1ftc h ILE 68 CO 0.00 0.26 -0.79 -0.61 0.00 0.00 0.00 178.15 177.01 1ftc h GLN 69 N -0.49 0.16 -0.93 2.37 4.15 -1.72 -2.75 115.11 115.90 1ftc h GLN 69 Ca -0.00 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.33 1ftc h GLN 69 Cb 0.46 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.12 1ftc h GLN 69 CO 0.01 0.86 0.59 -0.07 -1.93 0.00 0.00 178.83 178.29 1ftc h LEU 70 N 0.10 0.92 -0.05 -2.39 3.38 -1.27 -1.43 115.31 114.56 1ftc h LEU 70 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ftc h LEU 70 Cb 1.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ftc h LEU 70 CO 0.12 0.58 0.02 0.78 0.09 0.00 0.00 178.44 180.02 1ftc h ASN 71 N 1.05 0.08 -0.28 -0.43 2.35 -0.94 -1.37 115.58 116.04 1ftc h ASN 71 Ca 0.41 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1ftc h ASN 71 Cb 0.20 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 1ftc h ASN 71 CO -0.18 0.25 -0.18 0.00 -1.65 0.00 0.00 177.43 175.67 1ftc h ALA 72 N 0.83 0.01 0.07 -0.83 0.00 -1.24 -1.24 119.26 116.86 1ftc h ALA 72 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ftc h ALA 72 Cb 0.20 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ftc h ALA 72 CO -0.00 -0.59 -0.03 0.93 0.00 0.00 0.00 179.25 179.56 1ftc h GLU 73 N -0.16 -0.09 0.00 0.00 4.39 -1.22 -3.20 114.58 114.30 1ftc h GLU 73 Ca 0.15 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1ftc h GLU 73 Cb 0.38 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1ftc h GLU 73 CO -0.37 0.25 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.37 1ftc h LEU 74 N -0.45 0.00 -1.71 1.33 3.38 -1.23 -2.30 115.31 114.33 1ftc h LEU 74 Ca -0.01 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1ftc h LEU 74 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1ftc h LEU 74 CO 0.02 0.29 0.43 0.00 0.09 0.00 0.00 178.44 179.26 1ftc h ALA 75 N 1.71 2.16 -0.01 1.53 0.00 -1.21 -1.02 119.26 122.43 1ftc h ALA 75 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ftc h ALA 75 Cb 0.74 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ftc h ALA 75 CO 0.04 -0.32 -0.62 0.93 0.00 0.00 0.00 179.25 179.28 1ftc h GLU 76 N 0.31 0.03 0.00 0.00 4.39 -1.45 -3.38 114.58 114.47 1ftc h GLU 76 Ca 0.30 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1ftc h GLU 76 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1ftc h GLU 76 CO -0.07 0.64 -0.76 1.33 -1.16 0.00 0.00 179.01 178.98 1ftc n VAL 77 N -3.81 0.00 -3.91 3.13 0.24 -0.46 -5.01 118.33 108.51 1ftc n VAL 77 Ca -0.01 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.34 61.84 1ftc n VAL 77 Cb 0.62 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 1ftc n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1ftc s TRP 78 N -2.30 3.46 0.43 6.34 0.51 -0.78 -5.10 118.94 121.50 1ftc s TRP 78 Ca 0.03 0.05 -0.23 0.00 -2.12 0.00 0.00 56.10 53.83 1ftc s TRP 78 Cb 0.09 -1.62 -0.08 0.00 -0.81 0.00 0.00 33.47 31.04 1ftc s TRP 78 CO 0.52 0.43 1.08 -1.25 -0.51 0.00 0.00 176.95 177.22 1ftc s PRO 79 N -3.84 3.97 0.22 4.98 0.04 -1.26 -4.74 135.00 134.37 1ftc s PRO 79 Ca 0.35 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1ftc s PRO 79 Cb -0.10 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1ftc s PRO 79 CO 0.29 -0.32 1.20 1.21 0.04 0.00 0.00 177.00 179.42 1ftc s ASN 80 N -1.57 7.08 -0.09 6.66 3.04 -1.26 -0.41 114.94 128.37 1ftc s ASN 80 Ca 0.61 2.31 0.02 0.00 0.04 0.00 0.00 52.86 55.84 1ftc s ASN 80 Cb -0.23 -2.62 -0.02 0.00 -1.54 0.00 0.00 41.25 36.85 1ftc s ASN 80 CO 0.28 -0.35 -0.16 -0.51 -3.04 0.00 0.00 177.10 173.33 1ftc s ILE 81 N -0.40 2.87 0.00 -5.21 2.07 -0.83 -4.81 121.20 114.89 1ftc s ILE 81 Ca 0.51 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 1ftc s ILE 81 Cb -0.34 -2.16 0.00 0.00 0.13 0.00 0.00 42.46 40.10 1ftc s ILE 81 CO 0.39 0.55 0.08 0.35 -1.91 0.00 0.00 174.94 174.41 1ftc n THR 82 N 3.05 0.00 -4.88 4.00 -2.24 -1.26 -4.51 114.28 108.43 1ftc n THR 82 Ca -0.18 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1ftc n THR 82 Cb 0.52 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.76 1ftc n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ftc s GLU 83 N -0.33 1.89 0.47 -0.78 2.02 -1.26 -4.72 118.70 116.00 1ftc s GLU 83 Ca 0.00 -0.64 -0.24 0.00 0.02 0.00 0.00 54.97 54.11 1ftc s GLU 83 Cb 0.00 -1.63 -0.08 0.00 0.10 0.00 0.00 34.13 32.52 1ftc s GLU 83 CO 0.00 0.25 1.29 1.17 0.02 0.00 0.00 175.26 177.99 1ftc n LYS 84 N 3.15 1.82 -4.24 1.61 4.81 -1.26 -5.01 118.16 119.04 1ftc n LYS 84 Ca -0.18 0.66 -0.15 0.00 -0.87 0.00 0.00 58.31 57.76 1ftc n LYS 84 Cb 0.53 -2.45 -0.09 0.00 0.02 0.00 0.00 35.03 33.04 1ftc n LYS 84 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1ftc s LYS 85 N -2.46 1.44 0.41 1.64 -2.85 -1.26 -5.10 119.74 111.57 1ftc s LYS 85 Ca 0.65 -1.80 -0.27 0.00 -1.00 0.00 0.00 55.97 53.55 1ftc s LYS 85 Cb -0.47 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 35.49 1ftc s LYS 85 CO 0.55 -0.50 1.47 -0.25 0.10 0.00 0.00 175.35 176.72 1ftc n ASP 86 N -0.81 3.61 -4.41 0.03 8.00 -1.26 -4.69 116.55 117.01 1ftc n ASP 86 Ca 0.04 1.18 -0.28 0.00 0.71 0.00 0.00 54.79 56.44 1ftc n ASP 86 Cb 0.64 -1.62 0.24 0.00 -0.02 0.00 0.00 41.12 40.37 1ftc n ASP 86 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1ftc s PRO 87 N -2.27 -0.89 0.56 -0.24 0.02 -1.26 -4.92 135.00 126.00 1ftc s PRO 87 Ca 0.57 0.61 -0.19 0.00 0.02 0.00 0.00 61.00 62.01 1ftc s PRO 87 Cb -0.46 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1ftc s PRO 87 CO 0.61 -3.65 1.12 -0.51 -0.33 0.00 0.00 177.00 174.25 1ftc s LEU 88 N -7.10 3.68 0.37 -5.54 1.43 -0.58 -4.91 118.68 106.03 1ftc s LEU 88 Ca 0.68 2.14 0.14 0.00 -1.03 0.00 0.00 54.13 56.05 1ftc s LEU 88 Cb -0.22 -4.57 0.97 0.00 0.03 0.00 0.00 46.19 42.40 1ftc s LEU 88 CO 0.62 -1.29 1.80 -0.65 0.23 0.00 0.00 176.35 177.06 1ftc h PRO 89 N 0.98 0.52 -0.42 1.29 0.11 -1.90 -0.93 132.00 131.64 1ftc h PRO 89 Ca -0.49 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.33 1ftc h PRO 89 Cb 1.26 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 1ftc h PRO 89 CO 0.56 0.34 -0.21 -0.25 -0.21 0.00 0.00 178.00 178.24 1ftc n ASP 90 N -4.63 3.15 -0.13 -2.05 8.00 -1.26 -4.85 116.55 114.78 1ftc n ASP 90 Ca 0.22 -3.81 -0.04 0.00 0.71 0.00 0.00 54.79 51.87 1ftc n ASP 90 Cb 0.70 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1ftc n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ftc h ALA 91 N 1.28 0.46 0.00 2.24 0.00 -1.32 -0.80 119.26 121.12 1ftc h ALA 91 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ftc h ALA 91 Cb 1.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ftc h ALA 91 CO 0.49 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.58 1ftc n GLU 92 N -5.09 0.24 -0.03 0.00 -0.00 -1.26 -2.40 120.64 112.10 1ftc n GLU 92 Ca 0.03 0.10 -0.16 0.00 -0.00 0.00 0.00 57.16 57.14 1ftc n GLU 92 Cb 0.19 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.05 1ftc n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ftc h ASP 93 N 0.00 0.68 -0.05 -1.84 3.32 -1.54 -3.27 116.42 113.72 1ftc h ASP 93 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1ftc h ASP 93 Cb 0.22 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ftc h ASP 93 CO 0.00 1.19 0.00 0.79 -1.72 0.00 0.00 179.24 179.50 1ftc n TRP 94 N -4.19 0.06 -3.03 4.55 7.02 -1.01 -4.75 117.44 116.08 1ftc n TRP 94 Ca -0.08 -0.03 -0.42 0.00 -1.02 0.00 0.00 57.50 55.95 1ftc n TRP 94 Cb 0.61 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1ftc n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1ftc s ASP 95 N -1.83 6.48 0.00 -0.99 2.15 -1.12 -3.64 116.67 117.71 1ftc s ASP 95 Ca 0.37 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.56 1ftc s ASP 95 Cb 0.19 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 1ftc s ASP 95 CO 0.31 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1ftc n GLY 96 N 4.64 0.57 3.76 2.66 0.00 -1.26 -5.03 105.19 110.52 1ftc n GLY 96 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1ftc n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ftc s VAL 97 N -2.00 4.12 0.04 1.61 1.01 -1.24 -5.07 120.40 118.86 1ftc s VAL 97 Ca 0.00 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.03 1ftc s VAL 97 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1ftc s VAL 97 CO 0.00 0.42 -0.09 -0.54 0.00 0.00 0.00 175.10 174.90 1ftc s LYS 98 N -1.37 2.39 0.00 2.72 1.02 -1.26 -4.64 119.74 118.59 1ftc s LYS 98 Ca 0.43 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1ftc s LYS 98 Cb -0.24 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1ftc s LYS 98 CO 0.30 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.71 1ftc n GLY 99 N 1.32 1.68 0.05 -3.33 0.00 -1.26 -4.98 105.19 98.67 1ftc n GLY 99 Ca -0.15 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1ftc n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ftc n LYS 100 N -1.19 0.55 -0.14 1.61 5.02 -1.26 -3.50 118.16 119.25 1ftc n LYS 100 Ca 0.00 -0.11 0.21 0.00 -2.02 0.00 0.00 58.31 56.39 1ftc n LYS 100 Cb 0.04 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.16 1ftc n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ftc h LEU 101 N 0.26 0.20 -2.16 -0.35 5.85 -1.94 0.15 115.31 117.32 1ftc h LEU 101 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ftc h LEU 101 Cb 0.32 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ftc h LEU 101 CO 0.00 0.09 -0.06 0.06 -0.34 0.00 0.00 178.44 178.19 1ftc h GLN 102 N 0.20 0.00 -0.70 1.25 3.07 -2.00 -0.87 115.11 116.06 1ftc h GLN 102 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1ftc h GLN 102 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1ftc h GLN 102 CO -0.07 0.06 0.00 0.72 0.09 0.00 0.00 178.83 179.62 1ftc n HIS 103 N -3.43 1.25 -2.19 0.06 8.25 0.52 -4.98 115.22 114.69 1ftc n HIS 103 Ca -0.02 -0.55 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 1ftc n HIS 103 Cb 0.19 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1ftc n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ftc s LEU 104 N -1.42 4.36 -0.11 2.41 2.96 -0.33 -4.94 118.68 121.62 1ftc s LEU 104 Ca 0.51 2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 56.67 1ftc s LEU 104 Cb 0.29 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1ftc s LEU 104 CO 0.29 -0.65 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.02 1ftc s GLU 105 N 1.31 3.17 0.00 1.98 2.02 -1.26 -5.10 118.70 120.82 1ftc s GLU 105 Ca 0.64 -0.52 0.25 0.00 0.02 0.00 0.00 54.97 55.36 1ftc s GLU 105 Cb -0.35 -2.75 0.40 0.00 0.10 0.00 0.00 34.13 31.52 1ftc s GLU 105 CO 0.30 0.49 1.38 -2.13 0.02 0.00 0.00 175.26 175.31