#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fn3 s LEU 2 N 0.00 4.04 0.69 6.55 0.20 -1.26 -5.09 118.68 123.81 1fn3 s LEU 2 Ca 0.00 0.02 -0.11 0.00 0.69 0.00 0.00 54.13 54.73 1fn3 s LEU 2 Cb 0.00 -2.16 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1fn3 s LEU 2 CO 0.00 -0.08 1.08 -0.94 -0.29 0.00 0.00 176.35 176.12 1fn3 s SER 3 N 1.74 5.53 0.00 3.68 1.04 -1.26 -4.91 113.70 119.53 1fn3 s SER 3 Ca 0.08 1.13 0.20 0.00 0.48 0.00 0.00 55.95 57.84 1fn3 s SER 3 Cb -0.16 -1.97 1.17 0.00 0.10 0.00 0.00 66.02 65.16 1fn3 s SER 3 CO 0.11 -1.28 1.58 -2.65 0.98 0.00 0.00 173.24 171.98 1fn3 n PRO 4 N -2.96 0.69 -0.02 4.02 -0.02 -1.26 -2.19 135.00 133.26 1fn3 n PRO 4 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 1fn3 n PRO 4 Cb 0.57 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.50 1fn3 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fn3 h ALA 5 N 3.27 -0.00 -0.01 3.55 0.00 -1.99 -2.59 119.26 121.48 1fn3 h ALA 5 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1fn3 h ALA 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fn3 h ALA 5 CO 0.00 -0.24 -0.91 -0.44 0.00 0.00 0.00 179.25 177.66 1fn3 h ASP 6 N -0.53 0.54 -0.74 0.00 3.32 -1.79 -1.77 116.42 115.45 1fn3 h ASP 6 Ca -0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1fn3 h ASP 6 Cb 0.53 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1fn3 h ASP 6 CO 0.00 1.21 0.25 0.11 -1.72 0.00 0.00 179.24 179.09 1fn3 h LYS 7 N 0.24 1.14 0.00 3.56 1.57 -1.53 -0.52 116.57 121.04 1fn3 h LYS 7 Ca -0.07 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.30 1fn3 h LYS 7 Cb 1.54 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1fn3 h LYS 7 CO 0.16 0.96 -1.08 1.79 -0.57 0.00 0.00 179.45 180.71 1fn3 h THR 8 N 1.09 0.84 0.16 -0.16 1.35 -1.56 -2.96 112.91 111.67 1fn3 h THR 8 Ca 0.24 -2.35 -0.01 0.00 -0.55 0.00 0.00 66.41 63.74 1fn3 h THR 8 Cb 0.28 2.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1fn3 h THR 8 CO -0.01 0.48 -0.15 -1.13 -0.25 0.00 0.00 175.52 174.46 1fn3 h ASN 9 N 0.00 -0.40 0.22 5.36 -1.24 -0.79 -2.27 115.58 116.46 1fn3 h ASN 9 Ca -0.10 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1fn3 h ASN 9 Cb 1.59 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.77 1fn3 h ASN 9 CO 0.07 -0.20 -0.07 -0.37 -1.29 0.00 0.00 177.43 175.57 1fn3 h VAL 10 N -0.31 0.54 0.00 2.57 -1.51 -1.27 0.23 116.25 116.51 1fn3 h VAL 10 Ca -0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 1fn3 h VAL 10 Cb 0.26 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1fn3 h VAL 10 CO -0.01 0.07 -0.08 0.11 -1.23 0.00 0.00 177.57 176.43 1fn3 h LYS 11 N 0.00 0.00 0.00 5.19 1.79 -1.28 0.31 116.57 122.58 1fn3 h LYS 11 Ca -0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1fn3 h LYS 11 Cb 0.20 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.78 1fn3 h LYS 11 CO 0.01 0.08 -2.32 0.00 -1.08 0.00 0.00 179.45 176.14 1fn3 n ALA 12 N -2.38 1.50 0.04 3.86 0.00 0.34 -3.16 120.51 120.71 1fn3 n ALA 12 Ca -0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 53.44 52.12 1fn3 n ALA 12 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 1fn3 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fn3 h ALA 13 N 0.97 -0.38 -0.01 0.00 0.00 -0.21 -3.05 119.26 116.58 1fn3 h ALA 13 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1fn3 h ALA 13 Cb 2.22 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1fn3 h ALA 13 CO 0.03 -0.37 0.01 2.35 0.00 0.00 0.00 179.25 181.27 1fn3 h TRP 14 N -0.26 0.00 -0.39 0.00 2.91 -0.65 -1.67 115.95 115.89 1fn3 h TRP 14 Ca -0.01 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.03 1fn3 h TRP 14 Cb 0.09 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1fn3 h TRP 14 CO 0.06 0.00 0.26 0.78 -1.03 0.00 0.00 178.44 178.51 1fn3 h GLY 15 N 0.00 0.50 2.00 2.65 0.00 -1.49 -1.45 103.07 105.28 1fn3 h GLY 15 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1fn3 h GLY 15 CO -0.00 0.17 0.00 0.50 0.00 0.00 0.00 176.54 177.21 1fn3 h LYS 16 N 0.46 0.00 0.15 4.80 1.79 -1.19 -3.30 116.57 119.28 1fn3 h LYS 16 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1fn3 h LYS 16 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1fn3 h LYS 16 CO -0.03 0.00 -0.07 0.28 -1.08 0.00 0.00 179.45 178.54 1fn3 h VAL 17 N 0.00 0.00 0.00 0.50 2.07 -1.41 -3.46 116.25 113.95 1fn3 h VAL 17 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1fn3 h VAL 17 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1fn3 h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1fn3 n GLY 18 N 0.78 0.45 0.00 2.17 0.00 -1.25 -0.74 105.19 106.61 1fn3 n GLY 18 Ca -0.02 0.67 0.09 0.00 0.00 0.00 0.00 46.02 46.76 1fn3 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fn3 n ALA 19 N 7.05 1.95 1.26 4.61 0.00 -1.26 -2.16 120.51 131.96 1fn3 n ALA 19 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1fn3 n ALA 19 Cb 0.00 -1.30 0.34 0.00 0.00 0.00 0.00 19.45 18.49 1fn3 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fn3 n HIS 20 N -1.33 0.00 0.30 0.00 -0.00 0.08 -4.07 115.22 110.20 1fn3 n HIS 20 Ca 0.08 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.97 1fn3 n HIS 20 Cb 0.16 -0.05 0.95 0.00 -0.00 0.00 0.00 29.99 31.04 1fn3 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fn3 h ALA 21 N 4.02 1.19 -0.02 -1.41 0.00 -1.63 0.25 119.26 121.66 1fn3 h ALA 21 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1fn3 h ALA 21 Cb 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fn3 h ALA 21 CO 0.00 0.04 -0.93 0.78 0.00 0.00 0.00 179.25 179.14 1fn3 h GLY 22 N 0.53 0.53 0.04 0.00 0.00 -1.78 -3.19 103.07 99.21 1fn3 h GLY 22 Ca -0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 47.33 46.24 1fn3 h GLY 22 CO 0.00 0.80 -1.01 0.83 0.00 0.00 0.00 176.54 177.16 1fn3 h GLU 23 N 0.28 0.02 -0.42 4.80 5.08 -1.75 -3.10 114.58 119.48 1fn3 h GLU 23 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1fn3 h GLU 23 Cb 1.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1fn3 h GLU 23 CO 0.17 1.02 0.00 0.66 -1.00 0.00 0.00 179.01 179.85 1fn3 n TYR 24 N -4.42 0.00 0.02 4.33 0.53 0.85 0.47 117.16 118.93 1fn3 n TYR 24 Ca -0.27 -0.01 0.00 0.00 -1.02 0.00 0.00 57.90 56.60 1fn3 n TYR 24 Cb 0.66 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.93 1fn3 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1fn3 n GLY 25 N 0.36 -0.03 0.36 2.72 0.00 -1.20 -4.46 105.19 102.93 1fn3 n GLY 25 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1fn3 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fn3 h ALA 26 N 0.00 1.69 -0.00 4.61 0.00 -1.29 -0.67 119.26 123.60 1fn3 h ALA 26 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fn3 h ALA 26 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fn3 h ALA 26 CO 0.00 -0.04 -0.80 0.39 0.00 0.00 0.00 179.25 178.80 1fn3 n GLU 27 N -4.72 0.15 0.00 0.00 -0.58 0.18 -3.75 120.64 111.91 1fn3 n GLU 27 Ca 0.22 -0.12 0.14 0.00 -0.42 0.00 0.00 57.16 56.99 1fn3 n GLU 27 Cb 0.55 -1.50 0.56 0.00 -0.57 0.00 0.00 31.44 30.48 1fn3 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fn3 n ALA 28 N -1.32 2.73 -0.09 0.62 0.00 -0.31 -3.22 120.51 118.92 1fn3 n ALA 28 Ca 0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1fn3 n ALA 28 Cb 0.35 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1fn3 n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fn3 h LEU 29 N 0.18 0.00 -0.99 0.00 3.38 -1.51 -3.31 115.31 113.06 1fn3 h LEU 29 Ca 0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1fn3 h LEU 29 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1fn3 h LEU 29 CO 0.00 1.18 0.03 1.21 0.09 0.00 0.00 178.44 180.94 1fn3 n GLU 30 N -4.53 0.10 0.06 1.13 2.13 -1.23 -0.39 120.64 117.90 1fn3 n GLU 30 Ca -0.20 0.59 -0.23 0.00 0.66 0.00 0.00 57.16 57.98 1fn3 n GLU 30 Cb 0.52 -1.84 -0.15 0.00 0.27 0.00 0.00 31.44 30.24 1fn3 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fn3 h ARG 31 N 0.00 0.37 0.00 5.31 3.08 -1.67 -2.50 114.38 118.96 1fn3 h ARG 31 Ca 0.00 -0.63 -0.07 0.00 0.07 0.00 0.00 59.98 59.35 1fn3 h ARG 31 Cb 0.05 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1fn3 h ARG 31 CO 0.00 1.30 -0.35 1.98 -1.07 0.00 0.00 179.97 181.83 1fn3 h MET 32 N -0.01 0.00 0.17 0.04 4.05 -0.81 -1.03 114.93 117.35 1fn3 h MET 32 Ca -0.32 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.09 1fn3 h MET 32 Cb 2.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.81 1fn3 h MET 32 CO 0.16 0.35 -0.08 0.74 0.23 0.00 0.00 176.91 178.30 1fn3 h PHE 33 N 0.00 -0.21 0.00 1.39 0.04 -0.99 -2.94 116.94 114.23 1fn3 h PHE 33 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1fn3 h PHE 33 Cb 0.62 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1fn3 h PHE 33 CO 0.00 0.19 -0.10 -0.07 -0.60 0.00 0.00 178.31 177.73 1fn3 h LEU 34 N -0.91 0.00 0.00 1.54 3.38 -1.40 -3.38 115.31 114.54 1fn3 h LEU 34 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fn3 h LEU 34 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1fn3 h LEU 34 CO 0.04 0.10 -0.09 -1.20 0.09 0.00 0.00 178.44 177.38 1fn3 n SER 35 N -3.22 0.31 -4.67 -0.43 7.64 -0.40 -4.86 113.62 108.00 1fn3 n SER 35 Ca 0.01 0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 1fn3 n SER 35 Cb 0.38 -0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1fn3 n SER 35 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1fn3 s PHE 36 N -1.22 3.39 -0.51 1.43 0.40 -1.11 -4.97 117.98 115.40 1fn3 s PHE 36 Ca -0.03 0.90 0.02 0.00 -0.60 0.00 0.00 56.93 57.22 1fn3 s PHE 36 Cb 0.00 -2.75 0.58 0.00 0.51 0.00 0.00 43.02 41.37 1fn3 s PHE 36 CO 0.04 -0.12 1.94 -0.35 0.70 0.00 0.00 175.22 177.43 1fn3 n PRO 37 N 4.81 2.36 -1.16 0.24 -0.04 -1.26 -4.09 135.00 135.86 1fn3 n PRO 37 Ca -0.03 -3.01 0.05 0.00 -0.04 0.00 0.00 63.50 60.47 1fn3 n PRO 37 Cb 0.50 -2.18 0.08 0.00 -0.04 0.00 0.00 33.50 31.86 1fn3 n PRO 37 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fn3 n THR 38 N -1.02 0.69 -0.43 0.52 -2.24 -1.26 -4.70 114.28 105.84 1fn3 n THR 38 Ca 0.59 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1fn3 n THR 38 Cb 1.31 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1fn3 n THR 38 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fn3 n THR 39 N -0.04 0.06 0.52 4.28 -1.04 -1.26 -4.58 114.28 112.22 1fn3 n THR 39 Ca 0.10 -0.31 0.07 0.00 -2.04 0.00 0.00 64.05 61.86 1fn3 n THR 39 Cb 0.98 1.36 0.06 0.00 -1.82 0.00 0.00 70.33 70.91 1fn3 n THR 39 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1fn3 n LYS 40 N -0.03 0.92 0.18 -2.82 2.85 -1.26 -4.08 118.16 113.91 1fn3 n LYS 40 Ca 0.00 -1.32 0.13 0.00 -1.05 0.00 0.00 58.31 56.07 1fn3 n LYS 40 Cb 0.14 -1.26 0.38 0.00 -0.65 0.00 0.00 35.03 33.64 1fn3 n LYS 40 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1fn3 h THR 41 N 2.59 0.00 0.00 0.58 1.35 -1.88 -2.64 112.91 112.91 1fn3 h THR 41 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1fn3 h THR 41 Cb 0.56 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1fn3 h THR 41 CO 0.00 0.00 -0.54 1.88 -0.25 0.00 0.00 175.52 176.61 1fn3 h TYR 42 N 0.00 0.00 -3.21 4.73 -1.99 -1.89 -3.39 116.97 111.22 1fn3 h TYR 42 Ca 0.00 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.07 1fn3 h TYR 42 Cb 0.74 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.08 1fn3 h TYR 42 CO 0.00 0.00 -0.36 -0.06 -0.00 0.00 0.00 178.16 177.74 1fn3 s PHE 43 N -3.28 3.70 -0.08 4.88 0.40 -1.00 -4.86 117.98 117.74 1fn3 s PHE 43 Ca 0.03 -3.18 0.14 0.00 -0.60 0.00 0.00 56.93 53.33 1fn3 s PHE 43 Cb 0.08 -2.96 -0.17 0.00 0.51 0.00 0.00 43.02 40.48 1fn3 s PHE 43 CO 0.73 -0.65 0.80 -1.00 0.70 0.00 0.00 175.22 175.81 1fn3 h PRO 44 N 5.76 0.00 0.04 0.24 0.13 -1.77 -3.35 132.00 133.05 1fn3 h PRO 44 Ca 0.14 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.98 1fn3 h PRO 44 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1fn3 h PRO 44 CO 0.78 0.42 -1.54 1.12 -0.23 0.00 0.00 178.00 178.55 1fn3 h HIS 45 N 0.00 0.16 0.00 1.56 2.07 -1.94 -3.46 115.15 113.54 1fn3 h HIS 45 Ca -0.20 -0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 1fn3 h HIS 45 Cb 1.77 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.74 1fn3 h HIS 45 CO 0.00 1.17 0.00 1.19 -3.07 0.00 0.00 177.93 177.22 1fn3 n PHE 46 N -3.25 -0.77 -3.85 6.12 0.99 -1.26 -5.07 117.46 110.37 1fn3 n PHE 46 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.18 1fn3 n PHE 46 Cb 1.03 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 39.37 1fn3 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1fn3 s ASP 47 N -2.07 -0.01 -0.41 4.37 -1.08 -1.26 -5.03 116.67 111.18 1fn3 s ASP 47 Ca 0.00 0.05 0.04 0.00 -0.52 0.00 0.00 52.55 52.12 1fn3 s ASP 47 Cb 0.00 0.03 0.45 0.00 -1.46 0.00 0.00 42.92 41.95 1fn3 s ASP 47 CO 0.00 -0.02 1.45 0.18 0.52 0.00 0.00 175.17 177.29 1fn3 n LEU 48 N 3.21 5.78 -4.65 -1.34 4.77 -1.26 -4.73 117.00 118.77 1fn3 n LEU 48 Ca -0.14 -4.63 -0.26 0.00 -0.03 0.00 0.00 56.01 50.95 1fn3 n LEU 48 Cb 0.59 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1fn3 n LEU 48 CO 0.25 1.92 -0.34 -0.94 -1.33 0.00 0.00 177.39 176.95 1fn3 s SER 49 N -3.05 4.70 0.33 -1.43 1.04 -1.26 -5.04 113.70 108.99 1fn3 s SER 49 Ca 0.55 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 56.26 1fn3 s SER 49 Cb 0.44 -0.97 -0.12 0.00 0.10 0.00 0.00 66.02 65.47 1fn3 s SER 49 CO 0.01 0.08 1.46 1.57 0.98 0.00 0.00 173.24 177.35 1fn3 n HIS 50 N -0.16 2.69 -3.39 5.02 -0.00 -1.26 -3.04 115.22 115.09 1fn3 n HIS 50 Ca -0.10 0.42 -0.24 0.00 0.46 0.00 0.00 57.72 58.26 1fn3 n HIS 50 Cb 0.55 -2.51 0.05 0.00 -0.12 0.00 0.00 29.99 27.96 1fn3 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fn3 n GLY 51 N 1.20 -0.53 3.56 1.57 0.00 -1.26 -4.96 105.19 104.78 1fn3 n GLY 51 Ca 0.05 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1fn3 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fn3 s SER 52 N -3.03 6.49 0.00 1.61 0.15 -1.17 -4.86 113.70 112.89 1fn3 s SER 52 Ca 0.47 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1fn3 s SER 52 Cb -0.21 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1fn3 s SER 52 CO 0.58 -1.02 0.09 0.00 1.20 0.00 0.00 173.24 174.09 1fn3 n ALA 53 N 7.08 0.37 -0.06 5.45 0.00 -1.26 -0.03 120.51 132.05 1fn3 n ALA 53 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1fn3 n ALA 53 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 1fn3 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fn3 h GLN 54 N 0.00 0.00 0.38 0.00 4.20 -1.93 -3.09 115.11 114.67 1fn3 h GLN 54 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1fn3 h GLN 54 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1fn3 h GLN 54 CO 0.00 0.00 -0.18 0.28 -0.67 0.00 0.00 178.83 178.26 1fn3 h VAL 55 N -0.93 0.41 0.00 -0.54 2.07 -0.74 0.39 116.25 116.91 1fn3 h VAL 55 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1fn3 h VAL 55 Cb 0.34 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1fn3 h VAL 55 CO 0.00 0.09 0.57 0.50 0.02 0.00 0.00 177.57 178.74 1fn3 h LYS 56 N -0.98 0.00 0.00 1.57 3.64 -1.45 1.70 116.57 121.06 1fn3 h LYS 56 Ca -0.05 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.95 1fn3 h LYS 56 Cb 0.53 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1fn3 h LYS 56 CO 0.09 0.00 -2.44 0.41 -2.27 0.00 0.00 179.45 175.23 1fn3 n GLY 57 N -1.32 -0.42 0.27 5.01 0.00 -1.07 -3.78 105.19 103.89 1fn3 n GLY 57 Ca -0.01 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1fn3 n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1fn3 h HIS 58 N 0.00 0.00 0.00 1.61 -0.00 0.43 -3.08 115.15 114.11 1fn3 h HIS 58 Ca -0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.78 1fn3 h HIS 58 Cb 1.92 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.32 1fn3 h HIS 58 CO 0.03 0.08 -0.12 0.78 -0.00 0.00 0.00 177.93 178.69 1fn3 h GLY 59 N 0.49 0.00 0.12 5.26 0.00 0.22 0.32 103.07 109.47 1fn3 h GLY 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fn3 h GLY 59 CO 0.01 0.00 -0.09 1.17 0.00 0.00 0.00 176.54 177.63 1fn3 n LYS 60 N -3.39 1.19 -0.05 4.80 4.81 -1.16 -3.40 118.16 120.96 1fn3 n LYS 60 Ca -0.01 -0.61 -0.05 0.00 -0.87 0.00 0.00 58.31 56.77 1fn3 n LYS 60 Cb 0.31 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.85 1fn3 n LYS 60 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1fn3 n LYS 61 N -0.37 0.33 0.26 1.64 5.02 0.05 -3.01 118.16 122.08 1fn3 n LYS 61 Ca 0.17 0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.77 1fn3 n LYS 61 Cb 0.32 -1.11 0.70 0.00 -0.02 0.00 0.00 35.03 34.91 1fn3 n LYS 61 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1fn3 h VAL 62 N -0.63 0.33 0.00 -0.18 -1.51 -1.60 -2.20 116.25 110.47 1fn3 h VAL 62 Ca 0.00 -0.63 -0.10 0.00 -1.23 0.00 0.00 66.70 64.74 1fn3 h VAL 62 Cb 0.59 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1fn3 h VAL 62 CO 0.00 0.10 -0.55 0.00 -1.23 0.00 0.00 177.57 175.89 1fn3 h ALA 63 N 1.90 0.11 0.00 5.19 0.00 -1.78 -3.12 119.26 121.56 1fn3 h ALA 63 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1fn3 h ALA 63 Cb 0.46 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1fn3 h ALA 63 CO 0.01 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 179.14 1fn3 h ASP 64 N -1.00 0.00 0.94 0.00 3.32 -1.47 0.25 116.42 118.45 1fn3 h ASP 64 Ca -0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1fn3 h ASP 64 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1fn3 h ASP 64 CO -0.09 0.00 -1.08 0.00 -1.72 0.00 0.00 179.24 176.35 1fn3 n ALA 65 N -2.05 2.40 0.17 3.45 0.00 -0.83 -3.62 120.51 120.02 1fn3 n ALA 65 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.17 1fn3 n ALA 65 Cb 0.08 -1.08 0.13 0.00 0.00 0.00 0.00 19.45 18.57 1fn3 n ALA 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fn3 h LEU 66 N 0.00 0.00 -0.25 0.00 5.85 -0.48 -3.00 115.31 117.42 1fn3 h LEU 66 Ca -0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1fn3 h LEU 66 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1fn3 h LEU 66 CO 0.01 0.37 0.05 0.74 -0.34 0.00 0.00 178.44 179.27 1fn3 h THR 67 N 0.00 1.22 0.00 1.05 2.02 -1.39 -2.03 112.91 113.77 1fn3 h THR 67 Ca -0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1fn3 h THR 67 Cb 1.21 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1fn3 h THR 67 CO 0.05 0.23 0.00 0.78 0.37 0.00 0.00 175.52 176.95 1fn3 h ASN 68 N 0.23 0.00 0.05 4.18 2.35 -1.67 -0.20 115.58 120.52 1fn3 h ASN 68 Ca 0.08 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.61 1fn3 h ASN 68 Cb 0.30 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.69 1fn3 h ASN 68 CO 0.00 0.00 -0.89 0.00 -1.65 0.00 0.00 177.43 174.90 1fn3 h ALA 69 N 2.30 0.04 -0.13 -0.83 0.00 -1.38 -0.05 119.26 119.21 1fn3 h ALA 69 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1fn3 h ALA 69 Cb 0.58 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1fn3 h ALA 69 CO 0.00 0.51 0.07 0.28 0.00 0.00 0.00 179.25 180.10 1fn3 h VAL 70 N 0.05 1.10 0.42 0.00 2.07 -0.83 1.18 116.25 120.24 1fn3 h VAL 70 Ca -0.13 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1fn3 h VAL 70 Cb 1.59 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1fn3 h VAL 70 CO 0.17 0.10 -0.34 0.00 0.02 0.00 0.00 177.57 177.52 1fn3 h ALA 71 N 0.96 -0.78 -0.72 1.67 0.00 -1.17 -3.12 119.26 116.10 1fn3 h ALA 71 Ca 0.05 -0.13 -0.43 0.00 0.00 0.00 0.00 54.91 54.39 1fn3 h ALA 71 Cb 0.09 0.46 -0.22 0.00 0.00 0.00 0.00 17.79 18.13 1fn3 h ALA 71 CO -0.01 -0.96 0.55 0.72 0.00 0.00 0.00 179.25 179.55 1fn3 n HIS 72 N -5.46 2.28 0.21 0.00 8.25 -0.03 -4.20 115.22 116.26 1fn3 n HIS 72 Ca -0.11 -1.93 0.06 0.00 -0.26 0.00 0.00 57.72 55.49 1fn3 n HIS 72 Cb 0.36 -0.96 0.43 0.00 1.12 0.00 0.00 29.99 30.95 1fn3 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1fn3 h VAL 73 N 0.85 0.90 -0.04 1.59 3.04 0.15 0.69 116.25 123.43 1fn3 h VAL 73 Ca 0.45 -1.22 0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1fn3 h VAL 73 Cb 1.68 1.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.69 1fn3 h VAL 73 CO 0.97 0.31 0.05 0.44 -1.01 0.00 0.00 177.57 178.33 1fn3 h ASP 74 N 0.00 0.00 -0.10 3.17 3.32 -1.82 -3.29 116.42 117.71 1fn3 h ASP 74 Ca -0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 1fn3 h ASP 74 Cb 0.70 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.09 1fn3 h ASP 74 CO 0.04 0.00 -0.49 -0.67 -1.72 0.00 0.00 179.24 176.40 1fn3 n ASP 75 N -3.74 -2.37 0.01 6.45 2.03 -0.51 -5.02 116.55 113.39 1fn3 n ASP 75 Ca -0.02 -3.55 -0.10 0.00 0.52 0.00 0.00 54.79 51.64 1fn3 n ASP 75 Cb 0.14 1.79 -0.04 0.00 -0.72 0.00 0.00 41.12 42.29 1fn3 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1fn3 h MET 76 N 3.31 -0.12 -1.07 -0.67 2.86 -0.99 0.48 114.93 118.73 1fn3 h MET 76 Ca -0.11 0.01 0.31 0.00 -2.06 0.00 0.00 59.70 57.85 1fn3 h MET 76 Cb 1.07 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1fn3 h MET 76 CO 0.21 -0.08 0.96 -1.35 1.06 0.00 0.00 176.91 177.70 1fn3 h PRO 77 N -0.13 0.00 -0.05 -0.22 0.10 -1.93 2.15 132.00 131.93 1fn3 h PRO 77 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.17 1fn3 h PRO 77 Cb 0.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.32 1fn3 h PRO 77 CO -0.16 0.00 0.00 0.09 0.10 0.00 0.00 178.00 178.03 1fn3 n ASN 78 N -3.73 1.75 0.05 -2.05 5.03 -0.80 -4.26 115.26 111.25 1fn3 n ASN 78 Ca 0.23 -1.53 -0.18 0.00 0.87 0.00 0.00 54.58 53.97 1fn3 n ASN 78 Cb 1.30 -0.03 -0.09 0.00 -1.02 0.00 0.00 39.78 39.94 1fn3 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fn3 h ALA 79 N 0.72 0.20 -0.52 5.41 0.00 0.84 -3.41 119.26 122.51 1fn3 h ALA 79 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 54.91 53.90 1fn3 h ALA 79 Cb 0.34 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.96 1fn3 h ALA 79 CO 0.00 0.73 -0.65 1.47 0.00 0.00 0.00 179.25 180.80 1fn3 n LEU 80 N -3.82 -2.01 0.03 0.00 -0.00 -0.98 -4.96 117.00 105.26 1fn3 n LEU 80 Ca -0.10 -3.74 -0.10 0.00 -0.00 0.00 0.00 56.01 52.08 1fn3 n LEU 80 Cb 0.87 0.81 0.04 0.00 -0.00 0.00 0.00 43.42 45.14 1fn3 n LEU 80 CO 0.55 2.04 0.41 -1.28 -0.00 0.00 0.00 177.39 179.11 1fn3 h SER 81 N 3.81 0.55 0.59 1.45 0.87 -1.80 -2.32 113.55 116.71 1fn3 h SER 81 Ca -0.08 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1fn3 h SER 81 Cb 1.01 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1fn3 h SER 81 CO 0.34 1.05 -0.03 0.00 -0.53 0.00 0.00 176.83 177.65 1fn3 h ALA 82 N 0.95 1.05 0.09 6.23 0.00 -1.93 -1.88 119.26 123.77 1fn3 h ALA 82 Ca -0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1fn3 h ALA 82 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1fn3 h ALA 82 CO 0.12 0.04 -1.65 1.25 0.00 0.00 0.00 179.25 179.01 1fn3 h LEU 83 N 0.00 0.29 -0.38 0.00 5.85 -1.87 0.16 115.31 119.37 1fn3 h LEU 83 Ca -0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1fn3 h LEU 83 Cb 0.34 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1fn3 h LEU 83 CO 0.00 1.42 0.00 -0.24 -0.34 0.00 0.00 178.44 179.28 1fn3 n SER 84 N -3.36 0.32 -0.00 1.25 2.88 -0.75 -3.38 113.62 110.58 1fn3 n SER 84 Ca -0.19 0.59 -0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1fn3 n SER 84 Cb 1.04 -0.65 -0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1fn3 n SER 84 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1fn3 n ASP 85 N -1.86 0.06 0.00 -3.46 8.00 -0.95 -4.40 116.55 113.94 1fn3 n ASP 85 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1fn3 n ASP 85 Cb 0.18 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1fn3 n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fn3 n LEU 86 N -2.56 0.00 -0.08 0.64 4.77 0.04 0.17 117.00 119.98 1fn3 n LEU 86 Ca -0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1fn3 n LEU 86 Cb 0.01 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1fn3 n LEU 86 CO 0.00 0.00 -0.24 0.45 -1.33 0.00 0.00 177.39 176.28 1fn3 h HIS 87 N 0.00 0.00 -0.64 -1.77 3.86 -1.65 -3.22 115.15 111.73 1fn3 h HIS 87 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1fn3 h HIS 87 Cb 0.00 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.35 1fn3 h HIS 87 CO 0.00 0.88 0.21 0.00 0.86 0.00 0.00 177.93 179.88 1fn3 n ALA 88 N -3.23 4.40 0.00 2.45 0.00 0.44 -0.80 120.51 123.76 1fn3 n ALA 88 Ca -0.18 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1fn3 n ALA 88 Cb 0.47 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1fn3 n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fn3 n HIS 89 N -0.37 0.00 0.00 0.00 -0.00 -1.23 -4.96 115.22 108.66 1fn3 n HIS 89 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 1fn3 n HIS 89 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.29 1fn3 n HIS 89 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1fn3 n LYS 90 N -0.07 0.00 -4.11 -0.41 0.00 -1.15 -5.03 118.16 107.40 1fn3 n LYS 90 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 1fn3 n LYS 90 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 1fn3 n LYS 90 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1fn3 s LEU 91 N -2.06 2.13 -0.08 3.14 0.05 -0.75 -4.99 118.68 116.11 1fn3 s LEU 91 Ca 0.00 -0.66 -0.11 0.00 0.05 0.00 0.00 54.13 53.42 1fn3 s LEU 91 Cb 0.00 -1.45 -0.05 0.00 -2.05 0.00 0.00 46.19 42.64 1fn3 s LEU 91 CO 0.00 -0.01 0.25 0.00 -0.55 0.00 0.00 176.35 176.04 1fn3 s ARG 92 N 1.30 3.70 0.00 1.48 1.70 0.02 -3.79 118.95 123.36 1fn3 s ARG 92 Ca 0.05 0.09 0.15 0.00 -0.47 0.00 0.00 55.73 55.54 1fn3 s ARG 92 Cb -0.13 -3.22 0.31 0.00 -0.57 0.00 0.00 34.95 31.33 1fn3 s ARG 92 CO -0.12 0.70 1.21 1.33 -1.08 0.00 0.00 175.30 177.34 1fn3 n VAL 93 N 2.07 0.66 -2.35 4.99 0.24 -1.26 -5.06 118.33 117.61 1fn3 n VAL 93 Ca -0.17 -0.83 -0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1fn3 n VAL 93 Cb 0.54 0.78 -0.00 0.00 -1.47 0.00 0.00 33.84 33.68 1fn3 n VAL 93 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1fn3 n ASP 94 N 0.85 -8.71 -0.20 -1.34 4.64 -1.26 -4.39 116.55 106.15 1fn3 n ASP 94 Ca 0.13 1.80 -0.04 0.00 -1.38 0.00 0.00 54.79 55.30 1fn3 n ASP 94 Cb 0.45 -5.16 -0.03 0.00 -1.04 0.00 0.00 41.12 35.34 1fn3 n ASP 94 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1fn3 n PRO 95 N 1.79 -0.19 0.28 -0.67 -0.01 -1.26 -0.18 135.00 134.76 1fn3 n PRO 95 Ca -0.04 0.73 0.18 0.00 -0.01 0.00 0.00 63.50 64.36 1fn3 n PRO 95 Cb 0.06 -1.07 0.81 0.00 -0.01 0.00 0.00 33.50 33.28 1fn3 n PRO 95 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 175.50 175.10 1fn3 h VAL 96 N 0.00 0.00 0.01 -1.45 -1.51 -1.97 -1.06 116.25 110.27 1fn3 h VAL 96 Ca 0.10 -0.33 -0.21 0.00 -1.23 0.00 0.00 66.70 65.03 1fn3 h VAL 96 Cb 0.22 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1fn3 h VAL 96 CO -0.46 0.00 -0.91 -1.13 -1.23 0.00 0.00 177.57 173.84 1fn3 h ASN 97 N 0.00 0.36 -0.04 4.19 -0.73 -0.77 -3.07 115.58 115.51 1fn3 h ASN 97 Ca 0.00 -0.29 0.01 0.00 1.87 0.00 0.00 56.30 57.89 1fn3 h ASN 97 Cb 0.34 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 1fn3 h ASN 97 CO 0.00 1.10 0.04 -0.26 -0.37 0.00 0.00 177.43 177.93 1fn3 h PHE 98 N 0.15 0.00 -0.16 0.67 -1.00 -1.10 0.81 116.94 116.31 1fn3 h PHE 98 Ca -0.06 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.54 1fn3 h PHE 98 Cb 1.55 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.11 1fn3 h PHE 98 CO 0.04 0.00 -0.61 0.87 -1.61 0.00 0.00 178.31 177.00 1fn3 h LYS 99 N 0.00 0.69 -0.00 1.51 1.57 -1.59 0.21 116.57 118.96 1fn3 h LYS 99 Ca 0.02 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1fn3 h LYS 99 Cb 0.09 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1fn3 h LYS 99 CO -0.00 1.15 0.00 1.28 -0.57 0.00 0.00 179.45 181.31 1fn3 n LEU 100 N -4.09 0.00 0.00 2.94 4.77 0.27 0.25 117.00 121.15 1fn3 n LEU 100 Ca -0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1fn3 n LEU 100 Cb 0.66 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1fn3 n LEU 100 CO 0.50 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.45 1fn3 n LEU 101 N -0.49 0.00 -0.09 2.23 7.94 -1.18 -4.61 117.00 120.81 1fn3 n LEU 101 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1fn3 n LEU 101 Cb 0.00 0.00 0.49 0.00 0.53 0.00 0.00 43.42 44.44 1fn3 n LEU 101 CO 0.00 0.07 0.75 -0.24 -1.11 0.00 0.00 177.39 176.86 1fn3 n SER 102 N 0.00 0.48 0.00 1.96 2.88 0.14 -3.19 113.62 115.89 1fn3 n SER 102 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1fn3 n SER 102 Cb 0.16 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1fn3 n SER 102 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1fn3 n HIS 103 N -1.14 0.00 0.00 0.66 -0.00 -0.62 -4.53 115.22 109.59 1fn3 n HIS 103 Ca 0.11 -0.38 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 1fn3 n HIS 103 Cb 0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 1fn3 n HIS 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fn3 n LEU 105 N -0.93 1.96 -0.08 0.00 0.00 -1.19 -3.26 117.00 113.49 1fn3 n LEU 105 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 56.01 54.97 1fn3 n LEU 105 Cb 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 43.42 43.16 1fn3 n LEU 105 CO 0.00 0.42 -1.15 0.18 0.00 0.00 0.00 177.39 176.84 1fn3 n LEU 106 N 0.52 2.77 -0.28 -1.96 4.32 -1.26 -4.37 117.00 116.73 1fn3 n LEU 106 Ca 0.16 0.03 -0.05 0.00 -0.02 0.00 0.00 56.01 56.13 1fn3 n LEU 106 Cb 0.37 -0.98 0.06 0.00 -1.62 0.00 0.00 43.42 41.25 1fn3 n LEU 106 CO 0.13 0.87 1.11 0.58 -1.22 0.00 0.00 177.39 178.86 1fn3 h VAL 107 N -0.07 1.23 0.00 4.08 2.07 -1.77 0.66 116.25 122.45 1fn3 h VAL 107 Ca -0.53 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1fn3 h VAL 107 Cb 1.91 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1fn3 h VAL 107 CO -0.05 0.26 0.00 0.35 0.02 0.00 0.00 177.57 178.15 1fn3 n THR 108 N -4.43 1.13 -0.07 2.57 -2.24 -1.23 -0.96 114.28 109.04 1fn3 n THR 108 Ca 0.07 0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 62.17 1fn3 n THR 108 Cb 0.10 -1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 66.94 1fn3 n THR 108 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fn3 n LEU 109 N -1.85 0.00 0.07 3.22 4.32 -0.36 -2.62 117.00 119.78 1fn3 n LEU 109 Ca 0.02 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.14 1fn3 n LEU 109 Cb 0.14 0.32 0.40 0.00 -1.62 0.00 0.00 43.42 42.67 1fn3 n LEU 109 CO 0.13 0.32 0.79 0.00 -1.22 0.00 0.00 177.39 177.41 1fn3 n ALA 110 N -2.52 2.47 -0.01 -1.18 0.00 0.22 -1.44 120.51 118.04 1fn3 n ALA 110 Ca -0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1fn3 n ALA 110 Cb 0.92 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 1fn3 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fn3 n ALA 111 N -1.71 2.65 0.91 0.00 0.00 -0.14 -4.47 120.51 117.75 1fn3 n ALA 111 Ca 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1fn3 n ALA 111 Cb 0.41 0.36 0.49 0.00 0.00 0.00 0.00 19.45 20.71 1fn3 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fn3 n HIS 112 N -3.37 0.00 -3.17 0.00 -0.00 -1.08 -3.62 115.22 103.99 1fn3 n HIS 112 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.45 1fn3 n HIS 112 Cb 0.42 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.99 30.05 1fn3 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1fn3 n LEU 113 N -1.33 0.44 0.00 2.41 4.32 -0.52 -4.96 117.00 117.36 1fn3 n LEU 113 Ca 0.09 -4.83 0.00 0.00 -0.02 0.00 0.00 56.01 51.24 1fn3 n LEU 113 Cb 0.17 0.70 0.00 0.00 -1.62 0.00 0.00 43.42 42.68 1fn3 n LEU 113 CO 0.16 2.21 0.31 -2.65 -1.22 0.00 0.00 177.39 176.20 1fn3 n PRO 114 N 0.67 0.00 -0.51 3.23 -0.02 -1.24 -0.07 135.00 137.07 1fn3 n PRO 114 Ca 0.23 0.14 0.44 0.00 -2.02 0.00 0.00 63.50 62.28 1fn3 n PRO 114 Cb 0.62 -1.13 0.72 0.00 -0.02 0.00 0.00 33.50 33.69 1fn3 n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fn3 h ALA 115 N -1.99 3.50 0.13 3.55 0.00 -1.94 0.25 119.26 122.76 1fn3 h ALA 115 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1fn3 h ALA 115 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1fn3 h ALA 115 CO 0.00 -2.09 -1.61 0.93 0.00 0.00 0.00 179.25 176.48 1fn3 h GLU 116 N 0.00 0.27 -5.49 0.00 3.07 -1.92 -3.43 114.58 107.09 1fn3 h GLU 116 Ca 0.75 -0.47 -0.27 0.00 -0.50 0.00 0.00 59.36 58.88 1fn3 h GLU 116 Cb 3.29 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 31.34 1fn3 h GLU 116 CO -0.01 1.22 0.81 0.12 -1.40 0.00 0.00 179.01 179.76 1fn3 s PHE 117 N -2.51 1.79 0.53 4.33 5.36 0.90 -4.82 117.98 123.55 1fn3 s PHE 117 Ca -0.20 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 56.63 1fn3 s PHE 117 Cb 0.05 -3.90 0.05 0.00 -0.34 0.00 0.00 43.02 38.87 1fn3 s PHE 117 CO 0.78 -1.30 0.73 0.95 -1.46 0.00 0.00 175.22 174.91 1fn3 s THR 118 N 11.67 2.63 0.14 0.12 -4.23 -1.26 -4.87 115.64 119.84 1fn3 s THR 118 Ca 0.72 -0.85 0.32 0.00 -1.18 0.00 0.00 61.69 60.70 1fn3 s THR 118 Cb -0.03 -2.78 0.33 0.00 1.34 0.00 0.00 72.50 71.36 1fn3 s THR 118 CO 0.10 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.51 1fn3 h PRO 119 N 0.23 0.00 0.01 3.99 0.11 -1.99 0.20 132.00 134.55 1fn3 h PRO 119 Ca -0.38 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.37 1fn3 h PRO 119 Cb 1.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1fn3 h PRO 119 CO 0.46 0.00 -2.22 0.00 -0.21 0.00 0.00 178.00 176.03 1fn3 n ALA 120 N -1.93 1.45 0.17 -0.75 0.00 -1.26 -3.84 120.51 114.34 1fn3 n ALA 120 Ca -0.01 -1.12 0.02 0.00 0.00 0.00 0.00 53.44 52.33 1fn3 n ALA 120 Cb 0.10 -0.36 0.28 0.00 0.00 0.00 0.00 19.45 19.47 1fn3 n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fn3 h VAL 121 N 0.00 1.22 -0.20 0.00 2.07 -1.49 -0.76 116.25 117.09 1fn3 h VAL 121 Ca -0.48 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 65.36 1fn3 h VAL 121 Cb 2.13 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 1fn3 h VAL 121 CO 0.03 0.47 0.04 -0.74 0.02 0.00 0.00 177.57 177.38 1fn3 h HIS 122 N 0.00 0.06 0.00 1.57 6.17 -0.82 1.14 115.15 123.27 1fn3 h HIS 122 Ca -0.00 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1fn3 h HIS 122 Cb 0.91 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.84 1fn3 h HIS 122 CO 0.00 0.02 -0.03 0.00 0.71 0.00 0.00 177.93 178.63 1fn3 h ALA 123 N 1.14 0.99 0.00 5.26 0.00 -1.57 -1.07 119.26 124.01 1fn3 h ALA 123 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fn3 h ALA 123 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fn3 h ALA 123 CO -0.12 0.04 -1.23 0.43 0.00 0.00 0.00 179.25 178.37 1fn3 n SER 124 N -3.12 0.67 -0.01 0.00 7.64 -0.33 -2.57 113.62 115.90 1fn3 n SER 124 Ca 0.02 0.26 -0.06 0.00 1.01 0.00 0.00 58.87 60.09 1fn3 n SER 124 Cb 0.40 0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 64.25 1fn3 n SER 124 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fn3 n LEU 125 N -2.59 0.84 0.06 -3.43 7.94 0.38 -3.42 117.00 116.78 1fn3 n LEU 125 Ca -0.01 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.18 1fn3 n LEU 125 Cb 0.56 0.15 -0.07 0.00 0.53 0.00 0.00 43.42 44.60 1fn3 n LEU 125 CO 0.41 0.32 0.35 -0.78 -1.11 0.00 0.00 177.39 176.58 1fn3 h ASP 126 N 0.00 -0.20 -1.07 1.96 3.58 -1.31 -2.43 116.42 116.96 1fn3 h ASP 126 Ca -0.26 -0.30 0.28 0.00 0.42 0.00 0.00 57.03 57.17 1fn3 h ASP 126 Cb 1.89 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.91 1fn3 h ASP 126 CO 0.07 0.35 0.71 0.50 -2.88 0.00 0.00 179.24 177.98 1fn3 h LYS 127 N -0.91 0.29 -0.18 0.28 3.64 -1.66 2.04 116.57 120.06 1fn3 h LYS 127 Ca -0.02 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1fn3 h LYS 127 Cb 0.50 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1fn3 h LYS 127 CO 0.04 0.19 -0.35 0.35 -2.27 0.00 0.00 179.45 177.41 1fn3 h PHE 128 N 0.30 0.69 0.00 1.91 3.57 -1.57 -3.03 116.94 118.81 1fn3 h PHE 128 Ca 0.59 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 1fn3 h PHE 128 Cb 1.68 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1fn3 h PHE 128 CO -0.00 0.99 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.63 1fn3 h LEU 129 N 0.20 0.00 0.00 0.59 4.07 -0.08 -0.01 115.31 120.08 1fn3 h LEU 129 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1fn3 h LEU 129 Cb 0.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1fn3 h LEU 129 CO 0.08 0.36 0.00 0.00 -1.08 0.00 0.00 178.44 177.80 1fn3 n ALA 130 N -2.25 2.64 0.00 1.53 0.00 0.66 -2.22 120.51 120.87 1fn3 n ALA 130 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1fn3 n ALA 130 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1fn3 n ALA 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fn3 n SER 131 N -0.95 3.92 -0.01 0.00 2.88 -1.02 -4.55 113.62 113.89 1fn3 n SER 131 Ca 0.21 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.77 1fn3 n SER 131 Cb 0.10 0.10 0.36 0.00 -0.75 0.00 0.00 64.21 64.01 1fn3 n SER 131 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1fn3 h VAL 132 N 0.00 1.15 -0.16 2.46 2.07 -1.02 0.13 116.25 120.88 1fn3 h VAL 132 Ca 0.00 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1fn3 h VAL 132 Cb 0.93 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1fn3 h VAL 132 CO 0.00 0.19 0.03 -1.20 0.02 0.00 0.00 177.57 176.61 1fn3 n SER 133 N -4.38 2.38 0.00 0.57 7.64 -0.94 -3.38 113.62 115.51 1fn3 n SER 133 Ca 0.02 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1fn3 n SER 133 Cb 0.15 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1fn3 n SER 133 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1fn3 n THR 134 N 0.14 0.00 0.18 0.44 -1.04 -0.23 -4.73 114.28 109.04 1fn3 n THR 134 Ca 0.08 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.15 1fn3 n THR 134 Cb 0.55 0.03 0.21 0.00 -1.82 0.00 0.00 70.33 69.30 1fn3 n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1fn3 h VAL 135 N 0.00 0.75 0.17 12.58 2.07 -0.83 -2.93 116.25 128.05 1fn3 h VAL 135 Ca 0.00 -1.73 -0.27 0.00 0.82 0.00 0.00 66.70 65.52 1fn3 h VAL 135 Cb 0.00 2.13 0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1fn3 h VAL 135 CO 0.00 0.37 -1.29 -0.07 0.02 0.00 0.00 177.57 176.61 1fn3 h LEU 136 N 0.00 0.56 -1.40 2.57 3.38 -1.82 -3.28 115.31 115.33 1fn3 h LEU 136 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1fn3 h LEU 136 Cb 1.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1fn3 h LEU 136 CO 0.05 1.60 0.00 0.35 0.09 0.00 0.00 178.44 180.52 1fn3 n THR 137 N -3.89 0.63 0.24 0.22 -2.24 -1.23 -3.89 114.28 104.12 1fn3 n THR 137 Ca -0.19 -0.38 0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1fn3 n THR 137 Cb 0.95 -0.20 0.57 0.00 -2.10 0.00 0.00 70.33 69.55 1fn3 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1fn3 n SER 138 N 0.18 0.62 -3.31 3.42 3.41 -1.11 -2.60 113.62 114.23 1fn3 n SER 138 Ca 0.08 0.74 -0.26 0.00 -0.26 0.00 0.00 58.87 59.17 1fn3 n SER 138 Cb 0.40 -0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 1fn3 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fn3 n LYS 139 N -2.27 1.98 0.00 4.33 4.01 -1.25 -4.80 118.16 120.16 1fn3 n LYS 139 Ca -0.00 -4.21 0.00 0.00 -0.51 0.00 0.00 58.31 53.59 1fn3 n LYS 139 Cb 0.10 -1.92 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 1fn3 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1fn3 n TYR 140 N 0.93 0.00 -0.02 2.13 0.53 -1.07 -4.69 117.16 114.97 1fn3 n TYR 140 Ca 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.15 1fn3 n TYR 140 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 1fn3 n TYR 140 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73