#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fn3 s HIS 2 N 0.00 1.82 -0.02 1.45 5.04 -1.26 -4.83 115.29 117.49 1fn3 s HIS 2 Ca 0.00 0.70 -0.01 0.00 -1.54 0.00 0.00 55.06 54.21 1fn3 s HIS 2 Cb 0.00 -4.15 0.02 0.00 0.04 0.00 0.00 32.58 28.48 1fn3 s HIS 2 CO 0.00 -2.42 0.04 -0.51 -2.34 0.00 0.00 174.74 169.52 1fn3 s LEU 3 N 7.92 1.48 0.43 8.88 1.43 -1.26 -5.01 118.68 132.55 1fn3 s LEU 3 Ca 0.68 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1fn3 s LEU 3 Cb -0.15 0.08 -0.09 0.00 0.03 0.00 0.00 46.19 46.06 1fn3 s LEU 3 CO 0.25 -0.07 1.05 -0.89 0.23 0.00 0.00 176.35 176.93 1fn3 s THR 4 N 0.50 3.70 -2.00 5.49 2.01 -1.26 -4.93 115.64 119.15 1fn3 s THR 4 Ca -0.04 1.23 0.22 0.00 0.31 0.00 0.00 61.69 63.41 1fn3 s THR 4 Cb -0.06 -3.60 0.62 0.00 0.01 0.00 0.00 72.50 69.47 1fn3 s THR 4 CO -0.02 -0.06 1.75 -0.81 -0.69 0.00 0.00 174.62 174.79 1fn3 n PRO 5 N -0.35 0.86 0.00 4.92 -0.04 -1.26 -2.97 135.00 136.16 1fn3 n PRO 5 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1fn3 n PRO 5 Cb 0.50 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1fn3 n PRO 5 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1fn3 n GLU 6 N -0.90 0.00 0.00 0.54 4.07 -1.26 -4.60 120.64 118.50 1fn3 n GLU 6 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1fn3 n GLU 6 Cb 0.07 -0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.44 1fn3 n GLU 6 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1fn3 n GLU 7 N -1.39 0.00 0.05 5.31 1.02 -1.25 -1.52 120.64 122.86 1fn3 n GLU 7 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1fn3 n GLU 7 Cb 0.00 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 1fn3 n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1fn3 h LYS 8 N 0.00 0.00 -0.58 3.49 3.64 -1.78 -2.05 116.57 119.29 1fn3 h LYS 8 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fn3 h LYS 8 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fn3 h LYS 8 CO 0.00 0.55 0.00 -1.13 -2.27 0.00 0.00 179.45 176.60 1fn3 n SER 9 N -3.10 0.58 0.00 4.20 3.41 -0.57 -1.02 113.62 117.12 1fn3 n SER 9 Ca -0.07 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1fn3 n SER 9 Cb 0.90 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1fn3 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fn3 n ALA 10 N -0.17 0.19 0.46 7.33 0.00 -1.15 -4.48 120.51 122.69 1fn3 n ALA 10 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1fn3 n ALA 10 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1fn3 n ALA 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1fn3 n VAL 11 N -0.11 0.00 -0.00 0.00 3.14 -0.70 -4.61 118.33 116.05 1fn3 n VAL 11 Ca 0.00 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1fn3 n VAL 11 Cb 0.00 1.02 -0.00 0.00 -1.06 0.00 0.00 33.84 33.79 1fn3 n VAL 11 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1fn3 n THR 12 N -1.10 0.01 -3.18 1.55 5.66 -0.18 -4.76 114.28 112.28 1fn3 n THR 12 Ca 0.02 -0.01 -0.40 0.00 -3.05 0.00 0.00 64.05 60.62 1fn3 n THR 12 Cb 0.16 0.04 -0.02 0.00 -1.55 0.00 0.00 70.33 68.96 1fn3 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fn3 n ALA 13 N -1.66 4.75 0.00 1.79 0.00 -1.26 -3.44 120.51 120.69 1fn3 n ALA 13 Ca -0.00 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.67 1fn3 n ALA 13 Cb 0.16 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1fn3 n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fn3 n LEU 14 N 1.46 0.00 0.03 0.00 7.94 -1.26 -4.79 117.00 120.38 1fn3 n LEU 14 Ca 0.26 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.04 1fn3 n LEU 14 Cb 0.36 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.17 1fn3 n LEU 14 CO 0.61 0.00 -0.33 -0.25 -1.11 0.00 0.00 177.39 176.31 1fn3 h TRP 15 N 0.00 0.22 0.00 1.96 2.91 -1.85 -2.04 115.95 117.15 1fn3 h TRP 15 Ca 0.00 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.86 1fn3 h TRP 15 Cb 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 1fn3 h TRP 15 CO 0.00 1.21 0.00 0.41 -1.03 0.00 0.00 178.44 179.03 1fn3 n GLY 16 N 1.59 -0.88 0.52 2.65 0.00 -1.26 -0.23 105.19 107.58 1fn3 n GLY 16 Ca -0.14 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1fn3 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fn3 n LYS 17 N -1.64 1.72 -2.94 1.61 5.02 -0.77 -4.94 118.16 116.23 1fn3 n LYS 17 Ca 0.02 -1.05 -0.22 0.00 -2.02 0.00 0.00 58.31 55.04 1fn3 n LYS 17 Cb 0.12 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1fn3 n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fn3 s VAL 18 N -1.98 3.59 -0.70 -0.18 0.11 0.68 -5.07 120.40 116.85 1fn3 s VAL 18 Ca 0.37 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1fn3 s VAL 18 Cb 0.21 -3.32 0.17 0.00 -1.53 0.00 0.00 36.38 31.91 1fn3 s VAL 18 CO 0.33 -0.21 0.50 0.59 -3.33 0.00 0.00 175.10 172.98 1fn3 n ASN 19 N -2.10 2.98 0.33 3.54 3.02 -1.26 -4.95 115.26 116.81 1fn3 n ASN 19 Ca 0.03 -3.20 0.02 0.00 -0.03 0.00 0.00 54.58 51.40 1fn3 n ASN 19 Cb 0.58 -0.75 0.10 0.00 -0.61 0.00 0.00 39.78 39.10 1fn3 n ASN 19 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1fn3 h VAL 20 N 4.34 0.00 0.00 2.41 2.07 -1.93 0.07 116.25 123.21 1fn3 h VAL 20 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1fn3 h VAL 20 Cb 0.75 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1fn3 h VAL 20 CO 0.71 0.00 -0.18 0.44 0.02 0.00 0.00 177.57 178.57 1fn3 h ASP 21 N 0.00 0.00 0.08 0.57 5.19 -1.83 -3.17 116.42 117.26 1fn3 h ASP 21 Ca 0.00 -0.61 -0.37 0.00 -0.62 0.00 0.00 57.03 55.43 1fn3 h ASP 21 Cb 1.85 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.32 1fn3 h ASP 21 CO -0.00 0.90 -2.20 -1.84 -3.12 0.00 0.00 179.24 172.99 1fn3 n GLU 22 N -4.64 0.71 0.22 3.56 0.28 -0.81 -3.47 120.64 116.50 1fn3 n GLU 22 Ca -0.10 0.21 -0.14 0.00 -0.16 0.00 0.00 57.16 56.98 1fn3 n GLU 22 Cb 0.36 -1.63 -0.08 0.00 1.43 0.00 0.00 31.44 31.52 1fn3 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1fn3 h VAL 23 N 0.04 0.49 -0.98 3.84 2.07 -1.25 0.76 116.25 121.23 1fn3 h VAL 23 Ca -0.49 -0.46 0.14 0.00 0.82 0.00 0.00 66.70 66.72 1fn3 h VAL 23 Cb 1.98 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 1fn3 h VAL 23 CO 0.02 0.07 0.61 1.23 0.02 0.00 0.00 177.57 179.52 1fn3 h GLY 24 N -0.88 1.56 1.39 2.17 0.00 -1.52 0.53 103.07 106.32 1fn3 h GLY 24 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1fn3 h GLY 24 CO 0.10 0.09 -0.22 0.61 0.00 0.00 0.00 176.54 177.12 1fn3 n GLY 25 N -1.37 -1.29 0.14 4.60 0.00 0.22 -3.05 105.19 104.44 1fn3 n GLY 25 Ca 0.20 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1fn3 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fn3 h GLU 26 N 0.12 0.40 -0.14 1.61 4.81 0.53 -2.86 114.58 119.05 1fn3 h GLU 26 Ca 0.00 -0.68 0.01 0.00 -0.13 0.00 0.00 59.36 58.55 1fn3 h GLU 26 Cb 0.47 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1fn3 h GLU 26 CO 0.00 1.33 0.07 0.00 -0.73 0.00 0.00 179.01 179.68 1fn3 h ALA 27 N 0.09 0.17 0.00 2.92 0.00 -0.56 -1.38 119.26 120.50 1fn3 h ALA 27 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1fn3 h ALA 27 Cb 2.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1fn3 h ALA 27 CO 0.18 -0.37 -0.39 1.25 0.00 0.00 0.00 179.25 179.92 1fn3 h LEU 28 N 0.16 0.00 -0.33 0.00 6.46 -1.67 -1.45 115.31 118.47 1fn3 h LEU 28 Ca 0.05 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.65 1fn3 h LEU 28 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1fn3 h LEU 28 CO -0.03 0.39 -0.78 1.23 -0.62 0.00 0.00 178.44 178.63 1fn3 h GLY 29 N 2.38 0.00 2.00 3.75 0.00 -1.38 -3.01 103.07 106.80 1fn3 h GLY 29 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1fn3 h GLY 29 CO 0.05 0.00 -0.13 -0.09 0.00 0.00 0.00 176.54 176.37 1fn3 h ARG 30 N 0.00 0.00 -0.08 4.80 2.43 -0.96 -3.04 114.38 117.53 1fn3 h ARG 30 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1fn3 h ARG 30 Cb 1.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1fn3 h ARG 30 CO 0.10 0.13 -0.05 1.25 -1.51 0.00 0.00 179.97 179.89 1fn3 h LEU 31 N 0.00 0.17 0.00 3.80 5.85 -1.14 -1.78 115.31 122.21 1fn3 h LEU 31 Ca -0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1fn3 h LEU 31 Cb 0.97 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1fn3 h LEU 31 CO 0.02 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.87 1fn3 n LEU 32 N -4.75 0.00 -0.04 2.25 4.32 -1.18 -1.93 117.00 115.67 1fn3 n LEU 32 Ca -0.07 0.49 -0.01 0.00 -0.02 0.00 0.00 56.01 56.40 1fn3 n LEU 32 Cb 0.27 -0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1fn3 n LEU 32 CO 0.36 -0.17 -0.10 0.58 -1.22 0.00 0.00 177.39 176.83 1fn3 h VAL 33 N 0.00 0.00 0.00 4.08 2.07 -1.37 -3.38 116.25 117.65 1fn3 h VAL 33 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1fn3 h VAL 33 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1fn3 h VAL 33 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 1fn3 n VAL 34 N -3.98 0.00 -2.81 2.57 0.31 -0.70 -4.48 118.33 109.24 1fn3 n VAL 34 Ca -0.02 0.66 -0.44 0.00 -0.01 0.00 0.00 64.34 64.53 1fn3 n VAL 34 Cb 0.08 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1fn3 n VAL 34 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1fn3 n TYR 35 N -1.62 4.81 0.98 3.52 4.01 -0.81 -4.88 117.16 123.18 1fn3 n TYR 35 Ca 0.00 -3.19 -0.00 0.00 -0.16 0.00 0.00 57.90 54.55 1fn3 n TYR 35 Cb 0.00 -2.32 0.00 0.00 -0.31 0.00 0.00 39.34 36.72 1fn3 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1fn3 n PRO 36 N 6.37 1.02 0.00 -0.72 -0.05 -1.24 -3.72 135.00 136.66 1fn3 n PRO 36 Ca 0.41 -0.03 0.14 0.00 -0.05 0.00 0.00 63.50 63.96 1fn3 n PRO 36 Cb 0.43 -1.14 0.44 0.00 -0.05 0.00 0.00 33.50 33.19 1fn3 n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 175.50 172.78 1fn3 n TRP 37 N 0.36 0.00 1.04 0.54 2.14 -1.26 -3.82 117.44 116.44 1fn3 n TRP 37 Ca 0.00 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.69 1fn3 n TRP 37 Cb 0.44 -0.02 0.11 0.00 -0.81 0.00 0.00 31.31 31.04 1fn3 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1fn3 n THR 38 N 0.14 0.00 0.74 -1.67 -2.24 -1.24 -4.18 114.28 105.83 1fn3 n THR 38 Ca 0.17 -0.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1fn3 n THR 38 Cb 0.38 1.33 0.49 0.00 -2.10 0.00 0.00 70.33 70.43 1fn3 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fn3 n GLN 39 N 0.85 0.08 0.23 -0.78 6.02 -1.25 -3.44 117.38 119.08 1fn3 n GLN 39 Ca 0.13 0.15 0.08 0.00 -0.01 0.00 0.00 57.00 57.35 1fn3 n GLN 39 Cb 0.54 -1.61 0.55 0.00 1.02 0.00 0.00 30.24 30.73 1fn3 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1fn3 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.85 -2.94 114.38 108.61 1fn3 h ARG 40 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1fn3 h ARG 40 Cb 0.49 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 1fn3 h ARG 40 CO 0.00 0.22 -0.69 0.74 0.10 0.00 0.00 179.97 180.34 1fn3 h PHE 41 N 0.00 0.00 -2.06 4.08 -1.00 -1.89 -3.37 116.94 112.70 1fn3 h PHE 41 Ca -0.00 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.11 1fn3 h PHE 41 Cb 0.46 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 39.65 1fn3 h PHE 41 CO 0.00 0.25 -0.03 1.19 -1.61 0.00 0.00 178.31 178.12 1fn3 n PHE 42 N -2.98 3.46 0.01 -0.55 0.99 -1.11 -4.72 117.46 112.56 1fn3 n PHE 42 Ca -0.00 -3.22 -0.11 0.00 -0.00 0.00 0.00 57.45 54.12 1fn3 n PHE 42 Cb 0.65 -0.66 -0.09 0.00 -1.00 0.00 0.00 39.48 38.39 1fn3 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1fn3 h GLU 43 N 3.17 -0.11 -3.29 -1.08 4.57 -1.74 -3.32 114.58 112.79 1fn3 h GLU 43 Ca 0.33 0.01 -0.57 0.00 -1.18 0.00 0.00 59.36 57.94 1fn3 h GLU 43 Cb 0.49 0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1fn3 h GLU 43 CO 1.00 0.43 3.32 -1.13 -1.18 0.00 0.00 179.01 181.45 1fn3 n SER 44 N -4.83 6.84 -0.82 1.04 3.41 -1.26 -3.86 113.62 114.13 1fn3 n SER 44 Ca -0.08 -2.51 0.03 0.00 -0.26 0.00 0.00 58.87 56.05 1fn3 n SER 44 Cb 0.29 -1.39 0.05 0.00 -0.26 0.00 0.00 64.21 62.89 1fn3 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1fn3 n PHE 45 N 4.16 0.00 0.00 7.33 0.99 -1.25 -5.10 117.46 123.59 1fn3 n PHE 45 Ca 0.64 -0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1fn3 n PHE 45 Cb 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 1fn3 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fn3 n GLY 46 N -0.11 1.89 3.25 1.37 0.00 -1.25 -4.72 105.19 105.61 1fn3 n GLY 46 Ca 0.06 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1fn3 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fn3 s ASP 47 N -4.00 3.88 -0.22 1.61 -1.08 -1.26 -4.97 116.67 110.63 1fn3 s ASP 47 Ca 0.00 -0.48 0.11 0.00 -0.52 0.00 0.00 52.55 51.66 1fn3 s ASP 47 Cb 0.00 -1.64 0.43 0.00 -1.46 0.00 0.00 42.92 40.24 1fn3 s ASP 47 CO 0.00 -0.00 1.21 0.18 0.52 0.00 0.00 175.17 177.08 1fn3 n LEU 48 N 4.66 2.95 0.00 -1.34 4.32 -1.26 -4.67 117.00 121.66 1fn3 n LEU 48 Ca -0.19 -3.97 0.00 0.00 -0.02 0.00 0.00 56.01 51.83 1fn3 n LEU 48 Cb 0.51 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1fn3 n LEU 48 CO 0.28 1.48 0.00 -1.54 -1.22 0.00 0.00 177.39 176.39 1fn3 n SER 49 N -1.03 0.00 -4.44 -1.43 3.41 -1.26 -4.66 113.62 104.21 1fn3 n SER 49 Ca 0.22 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.38 1fn3 n SER 49 Cb 0.74 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1fn3 n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1fn3 n THR 50 N 0.00 1.76 0.33 6.66 -2.24 -1.26 -4.63 114.28 114.90 1fn3 n THR 50 Ca 0.00 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1fn3 n THR 50 Cb 0.00 -0.32 1.13 0.00 -2.10 0.00 0.00 70.33 69.05 1fn3 n THR 50 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1fn3 h PRO 51 N 1.08 0.00 0.00 -0.78 0.13 -1.98 0.67 132.00 131.12 1fn3 h PRO 51 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 1fn3 h PRO 51 Cb 1.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.51 1fn3 h PRO 51 CO 0.55 0.00 -1.17 -0.44 -0.23 0.00 0.00 178.00 176.72 1fn3 h ASP 52 N 0.00 0.00 -0.17 1.44 3.32 -1.97 -3.01 116.42 116.03 1fn3 h ASP 52 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fn3 h ASP 52 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1fn3 h ASP 52 CO 0.00 0.76 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 1fn3 n ALA 53 N -2.38 2.50 0.00 3.45 0.00 0.22 -1.70 120.51 122.61 1fn3 n ALA 53 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1fn3 n ALA 53 Cb 0.89 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1fn3 n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fn3 n VAL 54 N 0.04 0.00 1.17 0.00 0.31 -0.47 -4.19 118.33 115.19 1fn3 n VAL 54 Ca 0.10 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.56 1fn3 n VAL 54 Cb 0.20 -0.73 0.27 0.00 -0.91 0.00 0.00 33.84 32.67 1fn3 n VAL 54 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1fn3 n MET 55 N -1.84 0.83 -0.37 5.55 2.00 -1.14 -4.06 117.12 118.10 1fn3 n MET 55 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 57.70 57.21 1fn3 n MET 55 Cb 0.40 -1.49 0.10 0.00 0.00 0.00 0.00 33.22 32.24 1fn3 n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1fn3 n GLY 56 N 1.37 3.47 3.73 3.03 0.00 -0.69 -4.94 105.19 111.17 1fn3 n GLY 56 Ca 0.11 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1fn3 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fn3 s ASN 57 N -2.37 7.25 0.12 1.61 2.47 -1.26 -4.95 114.94 117.82 1fn3 s ASN 57 Ca 0.24 1.50 -0.17 0.00 0.42 0.00 0.00 52.86 54.85 1fn3 s ASN 57 Cb 0.23 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.50 1fn3 s ASN 57 CO -0.01 -0.07 1.67 1.55 -3.72 0.00 0.00 177.10 176.51 1fn3 h PRO 58 N 6.06 0.49 0.00 0.43 0.13 -1.95 -1.40 132.00 135.77 1fn3 h PRO 58 Ca -0.43 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1fn3 h PRO 58 Cb 1.21 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1fn3 h PRO 58 CO 0.73 0.49 -0.27 0.87 -0.23 0.00 0.00 178.00 179.59 1fn3 h LYS 59 N 0.39 0.00 0.01 0.86 1.79 -1.93 -1.28 116.57 116.40 1fn3 h LYS 59 Ca 0.11 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.38 1fn3 h LYS 59 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1fn3 h LYS 59 CO -0.01 0.27 -0.90 0.28 -1.08 0.00 0.00 179.45 178.01 1fn3 h VAL 60 N 0.00 1.50 0.00 0.50 2.07 -1.87 -0.67 116.25 117.77 1fn3 h VAL 60 Ca -0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1fn3 h VAL 60 Cb 0.70 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1fn3 h VAL 60 CO 0.04 0.77 -0.36 1.17 0.02 0.00 0.00 177.57 179.21 1fn3 n LYS 61 N -3.65 0.18 0.01 1.57 4.81 -0.54 -3.03 118.16 117.51 1fn3 n LYS 61 Ca -0.04 0.09 0.08 0.00 -0.87 0.00 0.00 58.31 57.57 1fn3 n LYS 61 Cb 0.82 -1.65 -0.13 0.00 0.02 0.00 0.00 35.03 34.09 1fn3 n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fn3 n ALA 62 N -1.71 2.58 0.09 3.14 0.00 -0.51 -3.84 120.51 120.27 1fn3 n ALA 62 Ca 0.05 -0.54 -0.19 0.00 0.00 0.00 0.00 53.44 52.75 1fn3 n ALA 62 Cb 0.40 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 1fn3 n ALA 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fn3 h HIS 63 N 0.00 0.62 0.00 0.00 -0.00 -1.19 -3.19 115.15 111.39 1fn3 h HIS 63 Ca -0.06 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 1fn3 h HIS 63 Cb 1.15 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 1fn3 h HIS 63 CO 0.00 1.43 0.00 0.41 -0.00 0.00 0.00 177.93 179.77 1fn3 n GLY 64 N 1.67 -0.77 0.13 5.26 0.00 -1.17 -2.28 105.19 108.04 1fn3 n GLY 64 Ca -0.15 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1fn3 n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fn3 h LYS 65 N 0.00 0.30 0.00 1.61 3.64 -1.65 0.64 116.57 121.12 1fn3 h LYS 65 Ca 0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1fn3 h LYS 65 Cb 0.00 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1fn3 h LYS 65 CO 0.00 1.19 -1.15 0.36 -2.27 0.00 0.00 179.45 177.58 1fn3 n LYS 66 N -3.49 0.21 0.04 1.90 2.85 -1.07 -3.16 118.16 115.45 1fn3 n LYS 66 Ca -0.24 -0.04 0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1fn3 n LYS 66 Cb 1.06 -1.53 0.53 0.00 -0.65 0.00 0.00 35.03 34.44 1fn3 n LYS 66 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fn3 n VAL 67 N -1.79 0.25 0.06 0.58 0.31 -0.96 -2.01 118.33 114.76 1fn3 n VAL 67 Ca 0.02 -0.11 0.05 0.00 -0.01 0.00 0.00 64.34 64.29 1fn3 n VAL 67 Cb 0.41 -0.54 -0.07 0.00 -0.91 0.00 0.00 33.84 32.72 1fn3 n VAL 67 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1fn3 n LEU 68 N -1.80 0.06 -0.10 7.52 0.00 -1.25 -3.78 117.00 117.65 1fn3 n LEU 68 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 56.01 55.94 1fn3 n LEU 68 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.81 1fn3 n LEU 68 CO 0.28 0.02 0.88 1.23 0.00 0.00 0.00 177.39 179.80 1fn3 h GLY 69 N 1.84 0.37 1.07 -3.96 0.00 -1.35 1.48 103.07 102.52 1fn3 h GLY 69 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1fn3 h GLY 69 CO 0.00 -0.04 -0.76 0.00 0.00 0.00 0.00 176.54 175.74 1fn3 h ALA 70 N 1.27 0.21 -0.57 3.60 0.00 -1.75 0.81 119.26 122.82 1fn3 h ALA 70 Ca 0.16 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1fn3 h ALA 70 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1fn3 h ALA 70 CO -0.24 0.57 0.38 0.35 0.00 0.00 0.00 179.25 180.32 1fn3 h PHE 71 N 0.33 0.64 0.07 0.00 3.57 -1.47 0.12 116.94 120.20 1fn3 h PHE 71 Ca -0.07 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.20 1fn3 h PHE 71 Cb 1.41 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1fn3 h PHE 71 CO 0.10 0.38 -1.10 1.03 -2.23 0.00 0.00 178.31 176.49 1fn3 h SER 72 N 0.67 0.35 0.00 0.41 0.87 0.22 -2.98 113.55 113.09 1fn3 h SER 72 Ca 0.23 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1fn3 h SER 72 Cb 0.09 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1fn3 h SER 72 CO -0.06 1.22 0.00 0.47 -0.53 0.00 0.00 176.83 177.93 1fn3 n ASP 73 N -3.56 0.00 -0.26 6.23 9.92 0.28 -3.03 116.55 126.13 1fn3 n ASP 73 Ca -0.06 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.32 1fn3 n ASP 73 Cb 0.94 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.42 1fn3 n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fn3 n GLY 74 N 0.40 -0.94 0.44 0.44 0.00 0.08 -4.78 105.19 100.83 1fn3 n GLY 74 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1fn3 n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fn3 n LEU 75 N 0.00 1.29 -1.09 0.99 -0.00 -1.13 -2.68 117.00 114.38 1fn3 n LEU 75 Ca 0.00 -0.62 0.02 0.00 -0.00 0.00 0.00 56.01 55.41 1fn3 n LEU 75 Cb 0.59 -0.14 0.01 0.00 -0.00 0.00 0.00 43.42 43.88 1fn3 n LEU 75 CO 0.00 0.31 0.15 0.00 -0.00 0.00 0.00 177.39 177.85 1fn3 n ALA 76 N 0.16 2.34 -2.48 1.96 0.00 -1.26 -4.67 120.51 116.57 1fn3 n ALA 76 Ca 0.11 -1.67 0.02 0.00 0.00 0.00 0.00 53.44 51.90 1fn3 n ALA 76 Cb 0.22 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.13 1fn3 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fn3 n HIS 77 N 0.27 0.44 0.29 0.00 8.25 -1.09 -4.90 115.22 118.47 1fn3 n HIS 77 Ca 0.01 -1.09 0.04 0.00 -0.26 0.00 0.00 57.72 56.41 1fn3 n HIS 77 Cb 0.94 -0.19 0.17 0.00 1.12 0.00 0.00 29.99 32.03 1fn3 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1fn3 n LEU 78 N 0.01 0.00 -0.69 2.41 4.32 -1.24 -1.71 117.00 120.10 1fn3 n LEU 78 Ca 0.09 0.42 0.08 0.00 -0.02 0.00 0.00 56.01 56.58 1fn3 n LEU 78 Cb 1.01 -0.42 0.10 0.00 -1.62 0.00 0.00 43.42 42.48 1fn3 n LEU 78 CO 0.01 -0.32 0.54 -0.90 -1.22 0.00 0.00 177.39 175.50 1fn3 n ASP 79 N -1.42 2.52 -1.07 -1.43 5.75 -1.26 -3.70 116.55 115.94 1fn3 n ASP 79 Ca 0.02 -1.73 0.01 0.00 -0.01 0.00 0.00 54.79 53.09 1fn3 n ASP 79 Cb 0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1fn3 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1fn3 n ASN 80 N 0.90 0.36 -0.33 -1.12 5.15 -1.01 -4.80 115.26 114.41 1fn3 n ASN 80 Ca 0.11 -1.92 0.25 0.00 -0.60 0.00 0.00 54.58 52.41 1fn3 n ASN 80 Cb 0.42 -0.16 0.49 0.00 -0.53 0.00 0.00 39.78 39.99 1fn3 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1fn3 h LEU 81 N 0.50 0.46 -1.79 1.20 4.07 -1.55 0.88 115.31 119.08 1fn3 h LEU 81 Ca -0.20 0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1fn3 h LEU 81 Cb 1.62 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.52 1fn3 h LEU 81 CO 0.01 -0.19 -0.15 0.50 -1.08 0.00 0.00 178.44 177.53 1fn3 h LYS 82 N 0.27 0.00 0.03 1.13 3.64 -1.88 -2.81 116.57 116.94 1fn3 h LYS 82 Ca 0.75 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.82 1fn3 h LYS 82 Cb 1.75 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.53 1fn3 h LYS 82 CO -0.64 0.15 -1.79 0.41 -2.27 0.00 0.00 179.45 175.32 1fn3 n GLY 83 N -0.78 -0.90 0.15 5.01 0.00 0.29 -3.34 105.19 105.62 1fn3 n GLY 83 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1fn3 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fn3 h THR 84 N 0.02 1.41 -0.00 2.61 1.03 -1.07 -3.02 112.91 113.89 1fn3 h THR 84 Ca -0.32 -2.02 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 1fn3 h THR 84 Cb 2.02 2.06 0.00 0.00 -1.07 0.00 0.00 68.15 71.17 1fn3 h THR 84 CO 0.08 0.59 -0.47 0.49 -0.01 0.00 0.00 175.52 176.20 1fn3 n PHE 85 N -3.85 0.00 -0.00 0.00 3.01 -1.08 -4.64 117.46 110.90 1fn3 n PHE 85 Ca -0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.44 1fn3 n PHE 85 Cb 0.61 -0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1fn3 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fn3 n ALA 86 N -1.08 -0.01 -0.06 4.37 0.00 -1.14 -0.43 120.51 122.17 1fn3 n ALA 86 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1fn3 n ALA 86 Cb 0.35 0.26 0.46 0.00 0.00 0.00 0.00 19.45 20.52 1fn3 n ALA 86 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1fn3 h THR 87 N 0.00 0.98 0.00 0.00 1.35 -1.82 0.49 112.91 113.90 1fn3 h THR 87 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1fn3 h THR 87 Cb 0.00 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1fn3 h THR 87 CO -0.01 0.09 0.00 -0.11 -0.25 0.00 0.00 175.52 175.24 1fn3 n LEU 88 N -4.47 0.00 -0.01 3.87 0.00 0.43 -3.40 117.00 113.41 1fn3 n LEU 88 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.07 1fn3 n LEU 88 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.65 1fn3 n LEU 88 CO 0.34 0.00 -0.58 -0.24 0.00 0.00 0.00 177.39 176.92 1fn3 n SER 89 N -0.72 4.41 -1.15 1.96 2.88 0.17 -4.34 113.62 116.82 1fn3 n SER 89 Ca 0.08 -0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1fn3 n SER 89 Cb 0.04 0.54 0.16 0.00 -0.75 0.00 0.00 64.21 64.21 1fn3 n SER 89 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1fn3 n GLU 90 N -2.10 2.56 0.00 -1.46 0.28 -0.98 -3.16 120.64 115.78 1fn3 n GLU 90 Ca -0.04 -1.35 0.00 0.00 -0.16 0.00 0.00 57.16 55.61 1fn3 n GLU 90 Cb 0.58 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.65 1fn3 n GLU 90 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1fn3 n LEU 91 N 0.22 1.27 0.17 -1.84 7.94 -1.24 -4.32 117.00 119.18 1fn3 n LEU 91 Ca 0.14 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.15 1fn3 n LEU 91 Cb 0.70 0.00 0.60 0.00 0.53 0.00 0.00 43.42 45.25 1fn3 n LEU 91 CO 0.16 0.17 0.85 0.45 -1.11 0.00 0.00 177.39 177.91 1fn3 h HIS 92 N 0.00 0.00 0.13 1.96 3.86 -1.75 -2.61 115.15 116.73 1fn3 h HIS 92 Ca 0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.89 1fn3 h HIS 92 Cb 0.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1fn3 h HIS 92 CO 0.00 0.00 -1.61 0.00 0.86 0.00 0.00 177.93 177.18 1fn3 n ASP 94 N -3.46 0.64 0.05 0.00 5.68 -1.12 -4.38 116.55 113.96 1fn3 n ASP 94 Ca -0.19 -0.82 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1fn3 n ASP 94 Cb 1.05 0.64 0.00 0.00 -1.14 0.00 0.00 41.12 41.67 1fn3 n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fn3 n LYS 95 N -0.61 0.00 -0.08 0.11 5.02 -1.01 -4.77 118.16 116.81 1fn3 n LYS 95 Ca 0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 1fn3 n LYS 95 Cb 0.09 -0.23 -0.13 0.00 -0.02 0.00 0.00 35.03 34.75 1fn3 n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fn3 n LEU 96 N -3.09 2.85 -1.24 -0.35 4.77 -1.03 -4.97 117.00 113.93 1fn3 n LEU 96 Ca 0.00 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1fn3 n LEU 96 Cb 0.12 -0.99 0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1fn3 n LEU 96 CO 0.00 0.91 0.02 1.41 -1.33 0.00 0.00 177.39 178.40 1fn3 n HIS 97 N -3.35 -0.32 -2.80 -1.77 8.25 0.72 -4.99 115.22 110.96 1fn3 n HIS 97 Ca -0.41 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 56.76 1fn3 n HIS 97 Cb 1.01 -2.23 -0.04 0.00 1.12 0.00 0.00 29.99 29.85 1fn3 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fn3 s VAL 98 N -3.05 4.57 0.16 1.59 1.01 1.82 -4.93 120.40 121.57 1fn3 s VAL 98 Ca 0.02 1.16 -0.34 0.00 0.00 0.00 0.00 61.98 62.82 1fn3 s VAL 98 Cb -0.01 -4.35 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 1fn3 s VAL 98 CO 0.10 -0.57 1.58 -0.67 0.00 0.00 0.00 175.10 175.54 1fn3 n ASP 99 N 6.83 3.11 0.33 3.32 -0.08 -1.26 -4.65 116.55 124.15 1fn3 n ASP 99 Ca 0.07 1.08 0.18 0.00 -1.51 0.00 0.00 54.79 54.61 1fn3 n ASP 99 Cb 0.48 -1.43 0.95 0.00 2.34 0.00 0.00 41.12 43.46 1fn3 n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1fn3 h PRO 100 N 5.97 0.00 0.06 -0.67 0.11 -1.94 -1.52 132.00 134.01 1fn3 h PRO 100 Ca -0.45 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 1fn3 h PRO 100 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1fn3 h PRO 100 CO 0.89 0.00 -1.08 1.49 -0.21 0.00 0.00 178.00 179.09 1fn3 h GLU 101 N 0.00 0.38 -0.83 1.05 4.57 -1.97 -3.13 114.58 114.65 1fn3 h GLU 101 Ca 0.01 -0.49 0.15 0.00 -1.18 0.00 0.00 59.36 57.85 1fn3 h GLU 101 Cb 0.45 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 1fn3 h GLU 101 CO -0.00 1.17 0.40 -0.91 -1.18 0.00 0.00 179.01 178.50 1fn3 h ASN 102 N 0.17 0.46 0.00 1.04 -0.26 -1.64 0.78 115.58 116.14 1fn3 h ASN 102 Ca -0.11 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1fn3 h ASN 102 Cb 1.75 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 39.05 1fn3 h ASN 102 CO 0.19 0.18 0.05 0.49 -1.06 0.00 0.00 177.43 177.28 1fn3 n PHE 103 N -4.91 0.39 -0.10 1.19 3.72 -1.18 -1.82 117.46 114.75 1fn3 n PHE 103 Ca 0.17 0.20 -0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1fn3 n PHE 103 Cb 0.44 -0.79 -0.14 0.00 -0.94 0.00 0.00 39.48 38.06 1fn3 n PHE 103 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1fn3 n ARG 104 N -1.89 0.68 0.26 -1.08 0.63 0.27 -3.01 116.66 112.51 1fn3 n ARG 104 Ca -0.01 0.09 -0.15 0.00 -0.92 0.00 0.00 57.85 56.86 1fn3 n ARG 104 Cb 0.07 -1.56 -0.08 0.00 0.45 0.00 0.00 32.46 31.34 1fn3 n ARG 104 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1fn3 h LEU 105 N 0.00 -0.56 -2.03 6.15 3.38 -0.62 -2.52 115.31 119.11 1fn3 h LEU 105 Ca -0.53 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.45 1fn3 h LEU 105 Cb 2.10 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.99 1fn3 h LEU 105 CO -0.00 -0.27 0.14 0.25 0.09 0.00 0.00 178.44 178.65 1fn3 h LEU 106 N -0.83 0.00 -1.32 1.67 5.85 -1.62 -0.79 115.31 118.27 1fn3 h LEU 106 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1fn3 h LEU 106 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1fn3 h LEU 106 CO 0.11 0.00 -0.03 1.23 -0.34 0.00 0.00 178.44 179.41 1fn3 h GLY 107 N 0.00 0.00 0.82 3.75 0.00 -1.37 -2.49 103.07 103.78 1fn3 h GLY 107 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.07 1fn3 h GLY 107 CO -0.00 0.00 -1.84 3.43 0.00 0.00 0.00 176.54 178.13 1fn3 h ASN 108 N 0.00 0.52 -0.41 0.19 2.35 -0.78 -3.34 115.58 114.12 1fn3 h ASN 108 Ca -0.00 -0.91 0.01 0.00 -0.55 0.00 0.00 56.30 54.85 1fn3 h ASN 108 Cb 0.58 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1fn3 h ASN 108 CO 0.00 1.79 0.26 0.58 -1.65 0.00 0.00 177.43 178.41 1fn3 h VAL 109 N 0.09 1.08 0.00 2.81 2.07 -1.46 0.07 116.25 120.92 1fn3 h VAL 109 Ca -0.37 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1fn3 h VAL 109 Cb 2.07 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1fn3 h VAL 109 CO 0.14 0.10 0.02 -0.11 0.02 0.00 0.00 177.57 177.74 1fn3 n LEU 110 N -4.82 0.00 -0.01 2.57 0.00 -0.94 0.14 117.00 113.93 1fn3 n LEU 110 Ca 0.01 0.23 0.02 0.00 0.00 0.00 0.00 56.01 56.26 1fn3 n LEU 110 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 43.42 43.21 1fn3 n LEU 110 CO 0.34 -0.23 0.01 0.52 0.00 0.00 0.00 177.39 178.04 1fn3 n VAL 111 N -1.21 0.00 1.04 1.96 0.31 -0.10 -3.67 118.33 116.66 1fn3 n VAL 111 Ca 0.00 -0.42 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 1fn3 n VAL 111 Cb 0.02 1.01 0.04 0.00 -0.91 0.00 0.00 33.84 34.00 1fn3 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fn3 n VAL 113 N -0.65 1.05 -0.14 0.00 0.31 0.21 -3.89 118.33 115.22 1fn3 n VAL 113 Ca 0.08 -0.53 -0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1fn3 n VAL 113 Cb 0.40 -0.87 0.25 0.00 -0.91 0.00 0.00 33.84 32.71 1fn3 n VAL 113 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fn3 h LEU 114 N 0.00 0.75 -0.06 7.52 3.38 -1.70 0.48 115.31 125.68 1fn3 h LEU 114 Ca -0.41 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1fn3 h LEU 114 Cb 1.80 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1fn3 h LEU 114 CO -0.02 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1fn3 h ALA 115 N 1.48 1.00 0.01 1.53 0.00 -1.76 -0.90 119.26 120.63 1fn3 h ALA 115 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1fn3 h ALA 115 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fn3 h ALA 115 CO -0.03 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.47 1fn3 h HIS 116 N 0.00 -0.02 -0.38 0.00 6.17 -1.08 -0.87 115.15 118.98 1fn3 h HIS 116 Ca 0.00 -0.00 -0.14 0.00 0.71 0.00 0.00 60.37 60.94 1fn3 h HIS 116 Cb 0.85 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.77 1fn3 h HIS 116 CO 0.00 0.76 -0.31 0.45 0.71 0.00 0.00 177.93 179.55 1fn3 h HIS 117 N -0.87 0.96 0.00 5.26 -0.00 -0.11 -3.31 115.15 117.09 1fn3 h HIS 117 Ca -0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1fn3 h HIS 117 Cb 0.79 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1fn3 h HIS 117 CO 0.21 1.03 -0.79 0.74 -0.00 0.00 0.00 177.93 179.11 1fn3 h PHE 118 N 0.70 0.00 0.00 2.45 0.05 -1.24 -3.50 116.94 115.40 1fn3 h PHE 118 Ca 0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.87 1fn3 h PHE 118 Cb 0.86 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.81 1fn3 h PHE 118 CO 0.05 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.59 1fn3 n GLY 119 N 1.26 2.15 0.30 -1.45 0.00 -0.33 -1.91 105.19 105.20 1fn3 n GLY 119 Ca 0.02 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1fn3 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fn3 h LYS 120 N 0.00 0.00 -0.47 1.61 1.79 -1.96 0.28 116.57 117.82 1fn3 h LYS 120 Ca 0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1fn3 h LYS 120 Cb 0.00 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.56 1fn3 h LYS 120 CO 0.00 0.00 -0.08 1.49 -1.08 0.00 0.00 179.45 179.78 1fn3 h GLU 121 N 0.00 0.03 -5.42 3.15 4.81 -1.78 -3.32 114.58 112.04 1fn3 h GLU 121 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1fn3 h GLU 121 Cb 0.59 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1fn3 h GLU 121 CO 0.00 0.02 0.31 0.12 -0.73 0.00 0.00 179.01 178.73 1fn3 s PHE 122 N -6.21 1.19 0.61 0.92 5.36 0.08 -4.95 117.98 114.99 1fn3 s PHE 122 Ca -0.14 1.81 -0.12 0.00 -0.96 0.00 0.00 56.93 57.52 1fn3 s PHE 122 Cb 0.16 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 1fn3 s PHE 122 CO 0.72 -1.72 1.03 -0.08 -1.46 0.00 0.00 175.22 173.71 1fn3 s THR 123 N 14.01 4.51 0.11 0.12 -1.32 -1.25 -4.93 115.64 126.88 1fn3 s THR 123 Ca 0.91 0.90 -0.21 0.00 -1.21 0.00 0.00 61.69 62.07 1fn3 s THR 123 Cb -0.13 -3.73 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1fn3 s THR 123 CO 0.10 -0.99 1.74 -0.65 -2.21 0.00 0.00 174.62 172.61 1fn3 h PRO 124 N -0.15 0.05 0.00 7.08 0.11 -1.94 -1.93 132.00 135.23 1fn3 h PRO 124 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fn3 h PRO 124 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fn3 h PRO 124 CO 0.61 0.04 0.00 -2.30 -0.21 0.00 0.00 178.00 176.13 1fn3 n PRO 125 N -5.10 0.07 -0.01 1.05 -0.02 -1.26 -2.80 135.00 126.93 1fn3 n PRO 125 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1fn3 n PRO 125 Cb 0.06 -1.41 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 1fn3 n PRO 125 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1fn3 n VAL 126 N -0.91 0.10 0.08 -1.45 3.14 -0.74 -4.25 118.33 114.31 1fn3 n VAL 126 Ca 0.01 -0.28 -0.22 0.00 -2.96 0.00 0.00 64.34 60.89 1fn3 n VAL 126 Cb 0.01 0.11 -0.13 0.00 -1.06 0.00 0.00 33.84 32.76 1fn3 n VAL 126 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1fn3 h GLN 127 N 0.00 0.54 -0.85 1.45 4.15 -1.44 -3.34 115.11 115.62 1fn3 h GLN 127 Ca -0.04 -0.75 0.21 0.00 0.77 0.00 0.00 58.65 58.84 1fn3 h GLN 127 Cb 0.67 0.25 -0.13 0.00 0.21 0.00 0.00 27.48 28.49 1fn3 h GLN 127 CO 0.00 1.34 0.26 0.00 -1.93 0.00 0.00 178.83 178.50 1fn3 h ALA 128 N 0.23 1.23 -0.42 3.38 0.00 -1.79 0.24 119.26 122.13 1fn3 h ALA 128 Ca -0.18 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fn3 h ALA 128 Cb 1.84 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1fn3 h ALA 128 CO 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1fn3 n ALA 129 N -2.64 3.06 0.00 0.00 0.00 -1.25 -3.60 120.51 116.07 1fn3 n ALA 129 Ca 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1fn3 n ALA 129 Cb 0.61 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1fn3 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fn3 n TYR 130 N 0.60 0.00 -0.32 0.00 4.01 -0.91 -4.40 117.16 116.13 1fn3 n TYR 130 Ca 0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.93 1fn3 n TYR 130 Cb 0.71 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.93 1fn3 n TYR 130 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1fn3 h GLN 131 N 0.00 1.13 0.00 -0.72 1.08 -0.64 0.07 115.11 116.02 1fn3 h GLN 131 Ca 0.00 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1fn3 h GLN 131 Cb 0.91 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1fn3 h GLN 131 CO 0.00 0.75 -0.14 0.87 -0.95 0.00 0.00 178.83 179.36 1fn3 h LYS 132 N 1.16 0.00 0.00 1.46 1.57 -1.80 0.94 116.57 119.90 1fn3 h LYS 132 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1fn3 h LYS 132 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1fn3 h LYS 132 CO -0.11 0.14 -0.64 0.28 -0.57 0.00 0.00 179.45 178.55 1fn3 h VAL 133 N 0.00 0.00 0.01 0.50 2.07 -1.25 -3.10 116.25 114.48 1fn3 h VAL 133 Ca -0.00 -1.00 -0.40 0.00 0.82 0.00 0.00 66.70 66.11 1fn3 h VAL 133 Cb 0.33 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1fn3 h VAL 133 CO 0.02 0.00 -2.46 1.33 0.02 0.00 0.00 177.57 176.48 1fn3 n VAL 134 N -2.83 1.51 1.31 2.57 0.24 -0.18 -2.09 118.33 118.86 1fn3 n VAL 134 Ca 0.01 -0.53 0.06 0.00 -2.04 0.00 0.00 64.34 61.84 1fn3 n VAL 134 Cb 0.54 -1.54 0.34 0.00 -1.47 0.00 0.00 33.84 31.71 1fn3 n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fn3 n ALA 135 N -3.47 2.22 0.00 2.33 0.00 0.31 -1.73 120.51 120.16 1fn3 n ALA 135 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1fn3 n ALA 135 Cb 0.97 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1fn3 n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fn3 n GLY 136 N 0.24 0.52 0.08 0.00 0.00 -1.17 -4.36 105.19 100.50 1fn3 n GLY 136 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1fn3 n GLY 136 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fn3 h VAL 137 N 0.00 0.00 -0.01 1.61 2.07 -0.77 -3.27 116.25 115.87 1fn3 h VAL 137 Ca 0.00 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1fn3 h VAL 137 Cb 0.00 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1fn3 h VAL 137 CO 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 1fn3 h ALA 138 N 2.39 0.04 -0.03 1.67 0.00 -1.61 -3.12 119.26 118.60 1fn3 h ALA 138 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1fn3 h ALA 138 Cb 0.80 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1fn3 h ALA 138 CO 0.00 0.06 -0.43 -0.91 0.00 0.00 0.00 179.25 177.98 1fn3 h ASN 139 N -0.48 -1.31 -1.01 0.00 2.35 -1.76 -1.39 115.58 111.98 1fn3 h ASN 139 Ca -0.02 0.16 0.24 0.00 -0.55 0.00 0.00 56.30 56.13 1fn3 h ASN 139 Cb 0.95 0.52 -0.12 0.00 0.05 0.00 0.00 38.32 39.72 1fn3 h ASN 139 CO 0.04 -0.46 0.60 0.00 -1.65 0.00 0.00 177.43 175.97 1fn3 h ALA 140 N -0.03 1.82 -0.00 -0.83 0.00 -1.67 0.55 119.26 119.11 1fn3 h ALA 140 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1fn3 h ALA 140 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1fn3 h ALA 140 CO -0.34 -0.28 -0.08 1.28 0.00 0.00 0.00 179.25 179.83 1fn3 n LEU 141 N -4.85 0.33 -0.00 0.00 4.32 -0.66 -3.35 117.00 112.80 1fn3 n LEU 141 Ca 0.26 0.07 0.01 0.00 -0.02 0.00 0.00 56.01 56.34 1fn3 n LEU 141 Cb 0.74 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1fn3 n LEU 141 CO 0.18 0.06 -0.08 0.00 -1.22 0.00 0.00 177.39 176.33 1fn3 n ALA 142 N -1.04 2.24 0.27 -1.18 0.00 0.60 -4.63 120.51 116.77 1fn3 n ALA 142 Ca 0.15 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1fn3 n ALA 142 Cb 0.26 -0.07 0.76 0.00 0.00 0.00 0.00 19.45 20.40 1fn3 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fn3 h HIS 143 N 0.00 0.00 -0.46 0.00 6.17 -0.06 -3.07 115.15 117.73 1fn3 h HIS 143 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 60.37 60.83 1fn3 h HIS 143 Cb 0.06 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 29.84 1fn3 h HIS 143 CO 0.00 0.09 0.31 1.63 0.71 0.00 0.00 177.93 180.67 1fn3 n LYS 144 N -3.75 1.60 -3.72 5.26 4.76 -1.26 -4.89 118.16 116.16 1fn3 n LYS 144 Ca -0.02 -1.40 -0.37 0.00 -2.87 0.00 0.00 58.31 53.65 1fn3 n LYS 144 Cb 0.19 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 31.72 1fn3 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1fn3 s TYR 145 N -1.54 3.14 -2.93 2.13 4.12 -1.16 -4.49 117.35 116.62 1fn3 s TYR 145 Ca 0.27 -0.21 0.25 0.00 0.02 0.00 0.00 57.07 57.39 1fn3 s TYR 145 Cb 0.22 -2.28 0.31 0.00 -1.52 0.00 0.00 41.96 38.70 1fn3 s TYR 145 CO 0.04 -0.26 1.33 -2.39 0.02 0.00 0.00 175.55 174.30