#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fn3 s PHE 19 N 0.00 0.83 -0.04 1.12 5.36 -1.26 -4.99 117.98 119.00 3fn3 s PHE 19 Ca 0.00 -0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 3fn3 s PHE 19 Cb 0.00 -0.89 0.01 0.00 -0.34 0.00 0.00 43.02 41.80 3fn3 s PHE 19 CO 0.00 -0.38 0.10 0.95 -1.46 0.00 0.00 175.22 174.43 3fn3 s THR 20 N 1.92 0.00 -0.07 0.12 -4.23 -1.26 -4.75 115.64 107.38 3fn3 s THR 20 Ca 0.04 -0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 3fn3 s THR 20 Cb -0.13 -0.15 -0.02 0.00 1.34 0.00 0.00 72.50 73.53 3fn3 s THR 20 CO -0.06 -0.01 0.90 -0.69 -0.54 0.00 0.00 174.62 174.22 3fn3 s VAL 21 N 0.01 4.89 0.17 2.29 1.01 -1.26 -4.57 120.40 122.95 3fn3 s VAL 21 Ca -0.00 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 3fn3 s VAL 21 Cb -0.01 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3fn3 s VAL 21 CO 0.00 0.12 0.38 -0.89 0.00 0.00 0.00 175.10 174.71 3fn3 s THR 22 N 1.37 5.19 -0.08 3.92 2.01 -0.61 -4.78 115.64 122.66 3fn3 s THR 22 Ca 0.46 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.32 3fn3 s THR 22 Cb -0.19 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 3fn3 s THR 22 CO 0.21 -0.07 -0.24 0.54 -0.69 0.00 0.00 174.62 174.37 3fn3 s VAL 23 N -1.77 2.03 0.14 3.82 0.11 -1.26 -1.63 120.40 121.85 3fn3 s VAL 23 Ca 0.39 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 3fn3 s VAL 23 Cb -0.12 -1.74 -0.19 0.00 -1.53 0.00 0.00 36.38 32.80 3fn3 s VAL 23 CO 0.27 0.56 1.31 1.55 -3.33 0.00 0.00 175.10 175.46 3fn3 h PRO 24 N 6.42 0.19 -3.81 1.54 0.13 -1.99 -3.44 132.00 131.03 3fn3 h PRO 24 Ca -0.25 -0.24 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 3fn3 h PRO 24 Cb 1.21 0.08 -0.38 0.00 0.13 0.00 0.00 31.00 32.04 3fn3 h PRO 24 CO 0.47 1.02 -0.78 0.15 -0.23 0.00 0.00 178.00 178.64 3fn3 s LYS 25 N -3.01 0.88 0.36 0.86 1.02 -1.26 -4.97 119.74 113.62 3fn3 s LYS 25 Ca -0.03 -0.16 0.26 0.00 0.02 0.00 0.00 55.97 56.07 3fn3 s LYS 25 Cb 0.09 -1.48 1.21 0.00 -0.52 0.00 0.00 37.83 37.13 3fn3 s LYS 25 CO 0.84 -0.39 1.80 -0.44 -0.92 0.00 0.00 175.35 176.23 3fn3 h ASP 26 N 8.26 0.00 -3.63 2.83 3.45 -1.86 -3.45 116.42 122.02 3fn3 h ASP 26 Ca -0.21 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 56.92 3fn3 h ASP 26 Cb 1.12 0.00 -0.32 0.00 -0.56 0.00 0.00 39.33 39.58 3fn3 h ASP 26 CO 0.32 0.00 -0.75 -0.22 -1.57 0.00 0.00 179.24 177.03 3fn3 s LEU 27 N -4.90 1.51 -0.11 1.55 2.96 -1.26 0.04 118.68 118.47 3fn3 s LEU 27 Ca 0.01 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3fn3 s LEU 27 Cb 0.09 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.59 3fn3 s LEU 27 CO 0.37 -0.04 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.93 3fn3 s TYR 28 N 0.58 1.69 -0.30 5.38 1.51 0.31 -4.95 117.35 121.57 3fn3 s TYR 28 Ca -0.06 -0.81 -0.06 0.00 -1.01 0.00 0.00 57.07 55.14 3fn3 s TYR 28 Cb -0.09 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 3fn3 s TYR 28 CO -0.01 -0.47 0.07 0.08 -1.11 0.00 0.00 175.55 174.10 3fn3 s VAL 29 N 1.28 3.78 0.04 0.71 1.01 -1.26 0.45 120.40 126.40 3fn3 s VAL 29 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3fn3 s VAL 29 Cb -0.14 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3fn3 s VAL 29 CO -0.04 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.34 3fn3 s VAL 30 N 1.45 0.41 -0.03 2.92 1.01 -0.42 -5.00 120.40 120.75 3fn3 s VAL 30 Ca 0.01 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 3fn3 s VAL 30 Cb -0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 3fn3 s VAL 30 CO 0.02 -0.44 0.63 -1.61 0.00 0.00 0.00 175.10 173.69 3fn3 s GLU 31 N -1.64 4.37 0.32 2.72 0.41 -1.26 -2.08 118.70 121.54 3fn3 s GLU 31 Ca -0.11 0.77 -0.24 0.00 -0.41 0.00 0.00 54.97 54.98 3fn3 s GLU 31 Cb -0.09 -3.39 -0.16 0.00 -1.78 0.00 0.00 34.13 28.71 3fn3 s GLU 31 CO -0.00 0.24 0.30 0.98 -0.49 0.00 0.00 175.26 176.29 3fn3 n TYR 32 N 3.17 -1.30 -0.37 1.61 9.36 -0.14 -1.44 117.16 128.05 3fn3 n TYR 32 Ca -0.05 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.94 3fn3 n TYR 32 Cb 0.51 -1.87 0.00 0.00 -0.63 0.00 0.00 39.34 37.35 3fn3 n TYR 32 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fn3 n GLY 33 N 2.15 1.28 0.00 2.98 0.00 0.53 -4.94 105.19 107.19 3fn3 n GLY 33 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fn3 n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fn3 n SER 34 N 0.00 0.00 -3.94 1.61 3.41 -0.52 -4.26 113.62 109.92 3fn3 n SER 34 Ca 0.00 -0.40 -0.27 0.00 -0.26 0.00 0.00 58.87 57.94 3fn3 n SER 34 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3fn3 n SER 34 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3fn3 s ASN 35 N -1.00 2.25 -0.11 4.04 -0.87 -1.26 -1.45 114.94 116.53 3fn3 s ASN 35 Ca 0.00 -0.34 0.03 0.00 -1.57 0.00 0.00 52.86 50.98 3fn3 s ASN 35 Cb 0.00 -0.91 -0.01 0.00 -0.02 0.00 0.00 41.25 40.31 3fn3 s ASN 35 CO 0.00 -0.09 -0.20 -0.32 -2.57 0.00 0.00 177.10 173.92 3fn3 s MET 36 N 1.55 3.13 -0.38 -0.60 -2.45 0.64 -4.97 119.30 116.22 3fn3 s MET 36 Ca 0.03 -0.81 0.02 0.00 -1.25 0.00 0.00 55.69 53.68 3fn3 s MET 36 Cb -0.13 -2.41 0.11 0.00 1.25 0.00 0.00 34.83 33.66 3fn3 s MET 36 CO -0.07 0.21 0.15 0.99 1.05 0.00 0.00 175.02 177.35 3fn3 s THR 37 N 0.29 1.55 -0.03 10.11 2.01 -1.26 -0.05 115.64 128.27 3fn3 s THR 37 Ca -0.15 -2.19 -0.06 0.00 0.31 0.00 0.00 61.69 59.60 3fn3 s THR 37 Cb -0.17 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3fn3 s THR 37 CO 0.07 -0.74 0.22 0.27 -0.69 0.00 0.00 174.62 173.75 3fn3 s ILE 38 N 0.85 5.37 -0.01 1.82 -4.36 -0.35 -4.93 121.20 119.58 3fn3 s ILE 38 Ca 0.13 0.13 0.04 0.00 -0.26 0.00 0.00 60.65 60.70 3fn3 s ILE 38 Cb -0.21 -3.52 -0.01 0.00 1.25 0.00 0.00 42.46 39.97 3fn3 s ILE 38 CO -0.10 0.43 -0.14 -1.61 0.24 0.00 0.00 174.94 173.75 3fn3 s GLU 39 N -1.58 1.19 -0.11 0.37 2.02 -1.26 -0.68 118.70 118.65 3fn3 s GLU 39 Ca 0.24 -0.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 3fn3 s GLU 39 Cb -0.13 -1.14 0.02 0.00 0.10 0.00 0.00 34.13 32.98 3fn3 s GLU 39 CO 0.13 0.30 -0.08 0.00 0.02 0.00 0.00 175.26 175.64 3fn3 s LYS 41 N 1.64 3.45 -0.12 0.00 -0.14 -0.64 -0.05 119.74 123.86 3fn3 s LYS 41 Ca 0.03 -0.53 -0.27 0.00 -1.36 0.00 0.00 55.97 53.84 3fn3 s LYS 41 Cb -0.13 -2.98 0.07 0.00 -1.68 0.00 0.00 37.83 33.10 3fn3 s LYS 41 CO -0.07 0.54 0.66 -0.59 -0.76 0.00 0.00 175.35 175.13 3fn3 s PHE 42 N -1.67 -0.66 -0.12 3.18 -0.12 -0.58 -1.58 117.98 116.43 3fn3 s PHE 42 Ca 0.35 1.33 -0.29 0.00 -0.05 0.00 0.00 56.93 58.27 3fn3 s PHE 42 Cb -0.12 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 3fn3 s PHE 42 CO 0.28 -0.51 1.95 -2.14 -0.05 0.00 0.00 175.22 174.76 3fn3 s PRO 43 N -0.63 3.71 -0.19 1.99 0.02 -1.26 -4.34 135.00 134.30 3fn3 s PRO 43 Ca -0.07 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 3fn3 s PRO 43 Cb -0.02 -4.19 -0.02 0.00 0.02 0.00 0.00 34.50 30.28 3fn3 s PRO 43 CO 0.06 -1.43 -0.03 0.08 -0.33 0.00 0.00 177.00 175.36 3fn3 s VAL 44 N 5.93 3.75 -0.14 3.83 1.01 -1.26 -4.98 120.40 128.54 3fn3 s VAL 44 Ca 0.87 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 3fn3 s VAL 44 Cb -0.34 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3fn3 s VAL 44 CO 0.36 0.45 -0.07 -0.70 0.00 0.00 0.00 175.10 175.14 3fn3 s GLU 45 N 0.89 3.46 0.00 2.72 2.12 -1.26 -4.91 118.70 121.71 3fn3 s GLU 45 Ca -0.00 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.76 3fn3 s GLU 45 Cb -0.14 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.46 3fn3 s GLU 45 CO 0.02 0.29 0.00 0.36 -0.54 0.00 0.00 175.26 175.39 3fn3 n LYS 46 N 3.34 0.00 -4.16 4.30 2.85 -1.26 -4.66 118.16 118.57 3fn3 n LYS 46 Ca -0.18 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.98 3fn3 n LYS 46 Cb 0.53 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.80 3fn3 n LYS 46 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3fn3 s GLN 47 N 0.00 0.81 -0.92 -1.58 -1.52 -1.26 -5.11 119.66 110.08 3fn3 s GLN 47 Ca 0.00 -1.29 -0.16 0.00 -1.95 0.00 0.00 55.36 51.96 3fn3 s GLN 47 Cb 0.00 -0.20 0.17 0.00 -0.22 0.00 0.00 33.01 32.76 3fn3 s GLN 47 CO 0.00 -0.02 1.02 -1.17 -0.25 0.00 0.00 175.29 174.88 3fn3 s LEU 48 N -2.94 5.72 -0.06 2.90 2.96 -1.26 -4.95 118.68 121.06 3fn3 s LEU 48 Ca 0.10 -2.41 -0.27 0.00 -0.22 0.00 0.00 54.13 51.33 3fn3 s LEU 48 Cb 0.04 -2.32 -0.32 0.00 0.50 0.00 0.00 46.19 44.09 3fn3 s LEU 48 CO -0.05 -0.83 1.56 -0.67 -1.32 0.00 0.00 176.35 175.04 3fn3 n ASP 49 N 5.40 1.03 -0.07 3.68 -0.08 -1.26 -4.69 116.55 120.56 3fn3 n ASP 49 Ca 0.21 -2.46 0.18 0.00 -1.51 0.00 0.00 54.79 51.22 3fn3 n ASP 49 Cb 0.47 -0.55 0.61 0.00 2.34 0.00 0.00 41.12 44.00 3fn3 n ASP 49 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3fn3 h LEU 50 N 16.81 0.16 0.00 -2.67 3.38 -1.96 0.41 115.31 131.44 3fn3 h LEU 50 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3fn3 h LEU 50 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fn3 h LEU 50 CO 1.93 0.08 0.00 0.00 0.09 0.00 0.00 178.44 180.54 3fn3 n ALA 51 N -2.59 1.98 -0.01 1.53 0.00 -1.26 -1.46 120.51 118.70 3fn3 n ALA 51 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.50 3fn3 n ALA 51 Cb 0.57 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 3fn3 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fn3 n ALA 52 N -1.13 2.21 -2.61 0.00 0.00 0.14 -4.69 120.51 114.43 3fn3 n ALA 52 Ca 0.10 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3fn3 n ALA 52 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 3fn3 n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fn3 s LEU 53 N -3.57 4.33 -0.10 0.00 2.96 -1.09 -4.66 118.68 116.54 3fn3 s LEU 53 Ca -0.03 1.73 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 3fn3 s LEU 53 Cb 0.04 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3fn3 s LEU 53 CO 0.28 -0.39 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.06 3fn3 s ILE 54 N 1.39 2.04 -0.08 6.68 1.01 0.12 -1.81 121.20 130.55 3fn3 s ILE 54 Ca 0.53 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 3fn3 s ILE 54 Cb -0.23 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.50 3fn3 s ILE 54 CO 0.25 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 175.02 3fn3 s VAL 55 N 0.41 0.64 -0.26 2.92 1.01 -0.74 0.14 120.40 124.53 3fn3 s VAL 55 Ca -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3fn3 s VAL 55 Cb -0.18 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3fn3 s VAL 55 CO 0.07 0.29 -0.01 -0.31 0.00 0.00 0.00 175.10 175.15 3fn3 s TYR 56 N 1.64 3.07 -0.27 5.22 4.12 0.30 -0.77 117.35 130.66 3fn3 s TYR 56 Ca 0.01 -1.20 -0.08 0.00 0.02 0.00 0.00 57.07 55.82 3fn3 s TYR 56 Cb -0.13 -2.14 -0.02 0.00 -1.52 0.00 0.00 41.96 38.15 3fn3 s TYR 56 CO -0.05 -0.63 0.09 -1.58 0.02 0.00 0.00 175.55 173.41 3fn3 s TRP 57 N 1.42 3.12 -0.09 2.71 0.52 0.26 -0.54 118.94 126.34 3fn3 s TRP 57 Ca 0.02 -0.49 -0.06 0.00 0.02 0.00 0.00 56.10 55.60 3fn3 s TRP 57 Cb -0.16 -2.27 0.03 0.00 -1.15 0.00 0.00 33.47 29.92 3fn3 s TRP 57 CO -0.02 -0.39 0.22 -1.83 0.02 0.00 0.00 176.95 174.94 3fn3 s GLU 58 N 1.61 0.21 0.04 4.98 -1.05 -1.11 -0.31 118.70 123.06 3fn3 s GLU 58 Ca 0.06 0.40 0.02 0.00 -0.15 0.00 0.00 54.97 55.30 3fn3 s GLU 58 Cb -0.16 -0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.47 3fn3 s GLU 58 CO 0.04 -0.10 0.06 1.41 0.95 0.00 0.00 175.26 177.62 3fn3 s MET 59 N 0.74 2.91 0.00 -4.83 -2.45 -0.94 -1.74 119.30 112.99 3fn3 s MET 59 Ca -0.05 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 3fn3 s MET 59 Cb -0.07 -2.75 0.00 0.00 1.25 0.00 0.00 34.83 33.26 3fn3 s MET 59 CO -0.04 0.60 0.00 0.39 1.05 0.00 0.00 175.02 177.01 3fn3 n GLU 60 N 0.82 0.00 -3.78 4.11 1.02 0.11 -0.32 120.64 122.60 3fn3 n GLU 60 Ca -0.11 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.76 3fn3 n GLU 60 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.96 3fn3 n GLU 60 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3fn3 n ASP 61 N 0.64 -2.62 -3.49 1.62 8.00 -1.26 -5.00 116.55 114.44 3fn3 n ASP 61 Ca 0.00 -0.97 -0.16 0.00 0.71 0.00 0.00 54.79 54.38 3fn3 n ASP 61 Cb 0.00 -3.44 -0.05 0.00 -0.02 0.00 0.00 41.12 37.61 3fn3 n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3fn3 s LYS 62 N -6.16 1.14 -0.18 -1.24 2.20 0.57 -5.17 119.74 110.90 3fn3 s LYS 62 Ca 0.20 0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 3fn3 s LYS 62 Cb -0.07 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 3fn3 s LYS 62 CO 0.86 -0.41 0.01 1.21 -0.36 0.00 0.00 175.35 176.65 3fn3 s ASN 63 N -1.73 5.08 -0.07 1.43 2.47 -1.26 -2.21 114.94 118.65 3fn3 s ASN 63 Ca -0.07 -0.08 -0.07 0.00 0.42 0.00 0.00 52.86 53.06 3fn3 s ASN 63 Cb -0.00 -1.86 -0.02 0.00 -1.45 0.00 0.00 41.25 37.92 3fn3 s ASN 63 CO 0.02 0.14 -0.14 -0.38 -3.72 0.00 0.00 177.10 173.02 3fn3 n ILE 64 N 3.73 0.68 -4.67 -5.21 5.41 0.18 -0.11 119.36 119.37 3fn3 n ILE 64 Ca -0.17 0.32 -0.23 0.00 1.00 0.00 0.00 62.75 63.67 3fn3 n ILE 64 Cb 0.52 -1.83 -0.15 0.00 -0.71 0.00 0.00 39.64 37.47 3fn3 n ILE 64 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3fn3 s ILE 65 N -1.84 1.16 -0.00 1.39 -1.09 0.57 -4.72 121.20 116.67 3fn3 s ILE 65 Ca -0.12 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3fn3 s ILE 65 Cb 0.02 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 3fn3 s ILE 65 CO 0.18 0.33 -0.01 0.00 -1.23 0.00 0.00 174.94 174.21 3fn3 s GLN 66 N -0.17 0.09 -0.26 2.79 -2.07 -1.26 0.91 119.66 119.69 3fn3 s GLN 66 Ca 0.02 -0.03 -0.03 0.00 -1.82 0.00 0.00 55.36 53.50 3fn3 s GLN 66 Cb -0.07 -0.10 0.09 0.00 -1.09 0.00 0.00 33.01 31.83 3fn3 s GLN 66 CO 0.00 0.01 0.10 0.12 -1.32 0.00 0.00 175.29 174.21 3fn3 s PHE 67 N 0.03 0.70 -0.26 9.60 5.36 0.05 -0.70 117.98 132.76 3fn3 s PHE 67 Ca -0.00 -0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 54.96 3fn3 s PHE 67 Cb -0.01 -1.05 -0.01 0.00 -0.34 0.00 0.00 43.02 41.61 3fn3 s PHE 67 CO -0.00 -0.74 0.06 0.14 -1.46 0.00 0.00 175.22 173.22 3fn3 s VAL 68 N 1.97 4.07 -0.23 3.12 -7.23 0.15 -1.79 120.40 120.46 3fn3 s VAL 68 Ca 0.06 -0.40 -0.21 0.00 -1.81 0.00 0.00 61.98 59.62 3fn3 s VAL 68 Cb -0.16 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.83 3fn3 s VAL 68 CO -0.24 0.25 0.34 1.41 -0.31 0.00 0.00 175.10 176.55 3fn3 n HIS 69 N 4.89 -1.38 -0.54 2.82 8.25 -0.75 -1.51 115.22 127.00 3fn3 n HIS 69 Ca -0.16 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 3fn3 n HIS 69 Cb 0.50 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 30.36 3fn3 n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fn3 n GLY 70 N 0.39 0.62 3.08 -1.41 0.00 -0.54 -4.82 105.19 102.52 3fn3 n GLY 70 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3fn3 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fn3 s GLU 71 N -0.44 1.63 -0.30 1.61 0.41 -0.57 -5.10 118.70 115.94 3fn3 s GLU 71 Ca 0.00 -0.50 -0.25 0.00 -0.41 0.00 0.00 54.97 53.81 3fn3 s GLU 71 Cb 0.00 -1.40 0.01 0.00 -1.78 0.00 0.00 34.13 30.96 3fn3 s GLU 71 CO 0.00 0.15 0.88 -2.00 -0.49 0.00 0.00 175.26 173.80 3fn3 s GLU 72 N 0.27 4.02 -0.69 1.61 2.12 -1.26 -0.67 118.70 124.09 3fn3 s GLU 72 Ca -0.07 0.78 -0.17 0.00 0.36 0.00 0.00 54.97 55.86 3fn3 s GLU 72 Cb -0.12 -3.72 0.14 0.00 0.26 0.00 0.00 34.13 30.68 3fn3 s GLU 72 CO 0.02 -0.73 0.75 0.34 -0.54 0.00 0.00 175.26 175.11 3fn3 s ASP 73 N 1.59 6.39 0.04 -1.70 2.15 0.13 -4.94 116.67 120.33 3fn3 s ASP 73 Ca 0.37 -1.88 -0.28 0.00 0.43 0.00 0.00 52.55 51.19 3fn3 s ASP 73 Cb -0.14 -2.28 -0.15 0.00 -0.30 0.00 0.00 42.92 40.05 3fn3 s ASP 73 CO 0.13 -0.94 1.40 -0.07 -0.17 0.00 0.00 175.17 175.51 3fn3 h LEU 74 N 9.35 -0.86 0.00 -1.34 4.07 -1.95 -3.32 115.31 121.27 3fn3 h LEU 74 Ca -0.13 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3fn3 h LEU 74 Cb 1.07 0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.03 3fn3 h LEU 74 CO 1.01 -0.60 0.00 0.29 -1.08 0.00 0.00 178.44 178.06 3fn3 n LYS 75 N -4.76 0.00 0.01 1.13 5.02 -1.26 0.82 118.16 119.12 3fn3 n LYS 75 Ca -0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.95 3fn3 n LYS 75 Cb 0.40 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.27 3fn3 n LYS 75 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3fn3 h VAL 76 N 0.00 0.78 -2.70 -0.18 3.04 -2.00 -3.48 116.25 111.71 3fn3 h VAL 76 Ca 0.00 -2.37 -0.60 0.00 -1.01 0.00 0.00 66.70 62.73 3fn3 h VAL 76 Cb 0.00 2.56 0.12 0.00 -2.01 0.00 0.00 31.29 31.97 3fn3 h VAL 76 CO 0.00 0.81 0.07 0.00 -1.01 0.00 0.00 177.57 177.44 3fn3 n GLN 77 N -3.67 1.24 -0.53 4.17 10.64 0.24 -4.90 117.38 124.58 3fn3 n GLN 77 Ca -0.29 0.44 -0.29 0.00 -1.83 0.00 0.00 57.00 55.02 3fn3 n GLN 77 Cb 1.00 -1.88 0.24 0.00 -0.86 0.00 0.00 30.24 28.73 3fn3 n GLN 77 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 3fn3 n HIS 78 N -0.23 -0.90 0.11 2.61 -0.00 0.84 -4.93 115.22 112.72 3fn3 n HIS 78 Ca 0.10 -0.03 0.09 0.00 -0.00 0.00 0.00 57.72 57.87 3fn3 n HIS 78 Cb 0.36 -1.75 0.01 0.00 -0.00 0.00 0.00 29.99 28.62 3fn3 n HIS 78 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3fn3 h SER 79 N -2.50 0.00 0.80 0.26 0.02 -1.92 -3.25 113.55 106.96 3fn3 h SER 79 Ca -0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3fn3 h SER 79 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3fn3 h SER 79 CO 0.47 0.14 0.00 0.77 -1.14 0.00 0.00 176.83 177.06 3fn3 h SER 80 N 0.00 0.00 0.00 3.07 4.64 -1.96 -2.80 113.55 116.50 3fn3 h SER 80 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3fn3 h SER 80 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3fn3 h SER 80 CO 0.01 0.00 -1.30 -1.22 -0.87 0.00 0.00 176.83 173.45 3fn3 n TYR 81 N -2.71 0.00 -0.11 4.77 4.02 -1.23 -4.82 117.16 117.08 3fn3 n TYR 81 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 3fn3 n TYR 81 Cb 0.25 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 3fn3 n TYR 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3fn3 n ARG 82 N -1.76 -0.11 -0.12 -0.72 5.12 -1.06 0.60 116.66 118.61 3fn3 n ARG 82 Ca -0.00 0.43 0.09 0.00 -1.93 0.00 0.00 57.85 56.43 3fn3 n ARG 82 Cb 0.36 -0.63 0.15 0.00 -1.16 0.00 0.00 32.46 31.18 3fn3 n ARG 82 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3fn3 n GLN 83 N -4.13 2.03 -0.00 5.56 3.00 -1.26 -4.64 117.38 117.93 3fn3 n GLN 83 Ca 0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 3fn3 n GLN 83 Cb 0.07 -1.38 -0.00 0.00 0.00 0.00 0.00 30.24 28.93 3fn3 n GLN 83 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3fn3 n ARG 84 N 1.04 4.55 -4.03 -1.09 1.85 0.20 -5.02 116.66 114.16 3fn3 n ARG 84 Ca 0.14 -0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.68 3fn3 n ARG 84 Cb 0.48 -0.69 -0.06 0.00 -1.05 0.00 0.00 32.46 31.14 3fn3 n ARG 84 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fn3 s ALA 85 N -1.38 3.64 0.10 2.89 0.00 -0.57 -2.11 121.76 124.34 3fn3 s ALA 85 Ca 0.00 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 3fn3 s ALA 85 Cb 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.70 3fn3 s ALA 85 CO 0.02 0.76 0.85 -0.98 0.00 0.00 0.00 175.76 176.41 3fn3 s ARG 86 N -2.40 1.12 -0.22 0.00 1.70 -0.77 -4.98 118.95 113.40 3fn3 s ARG 86 Ca 0.30 -0.52 -0.06 0.00 -0.47 0.00 0.00 55.73 54.98 3fn3 s ARG 86 Cb -0.12 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3fn3 s ARG 86 CO 0.23 -0.50 0.02 -1.17 -1.08 0.00 0.00 175.30 172.79 3fn3 s LEU 87 N -2.73 3.27 -0.44 -1.89 2.96 -1.26 -0.98 118.68 117.60 3fn3 s LEU 87 Ca 0.08 -0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.48 3fn3 s LEU 87 Cb -0.02 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3fn3 s LEU 87 CO -0.04 0.02 1.78 -0.76 -1.32 0.00 0.00 176.35 176.03 3fn3 s LEU 88 N 1.26 3.44 0.00 -0.68 1.02 -0.44 -4.91 118.68 118.37 3fn3 s LEU 88 Ca 0.04 0.90 -0.25 0.00 0.02 0.00 0.00 54.13 54.83 3fn3 s LEU 88 Cb -0.15 -3.15 -0.19 0.00 0.02 0.00 0.00 46.19 42.72 3fn3 s LEU 88 CO 0.01 -1.93 1.35 0.11 0.02 0.00 0.00 176.35 175.92 3fn3 h LYS 89 N 13.41 0.02 -1.00 1.70 1.57 -1.95 -2.92 116.57 127.41 3fn3 h LYS 89 Ca -0.30 -0.01 0.23 0.00 -1.87 0.00 0.00 60.65 58.70 3fn3 h LYS 89 Cb 1.16 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.37 3fn3 h LYS 89 CO 1.11 0.42 0.62 0.38 -0.57 0.00 0.00 179.45 181.41 3fn3 h ASP 90 N -0.38 0.61 -0.08 0.86 -0.00 -1.97 -2.36 116.42 113.11 3fn3 h ASP 90 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 57.03 57.15 3fn3 h ASP 90 Cb 0.41 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3fn3 h ASP 90 CO 0.00 0.17 0.06 1.56 -0.00 0.00 0.00 179.24 181.03 3fn3 h GLN 91 N 0.57 0.00 -0.87 4.15 1.08 -1.78 -2.99 115.11 115.26 3fn3 h GLN 91 Ca 0.58 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.80 3fn3 h GLN 91 Cb 1.19 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 3fn3 h GLN 91 CO -0.35 0.00 0.57 -0.07 -0.95 0.00 0.00 178.83 178.03 3fn3 h LEU 92 N 0.00 0.97 -1.64 1.46 4.07 -1.39 0.11 115.31 118.89 3fn3 h LEU 92 Ca 0.04 -0.02 0.29 0.00 0.08 0.00 0.00 57.88 58.27 3fn3 h LEU 92 Cb 0.15 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 3fn3 h LEU 92 CO -0.00 0.69 0.73 0.28 -1.08 0.00 0.00 178.44 179.06 3fn3 h SER 93 N 1.14 0.25 0.14 -0.43 0.02 -1.69 -2.46 113.55 110.52 3fn3 h SER 93 Ca 0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3fn3 h SER 93 Cb -0.08 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3fn3 h SER 93 CO -0.09 0.04 -1.52 0.18 -1.14 0.00 0.00 176.83 174.31 3fn3 n LEU 94 N -4.44 0.41 0.00 5.07 4.77 -0.08 -4.85 117.00 117.87 3fn3 n LEU 94 Ca 0.25 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3fn3 n LEU 94 Cb 1.02 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3fn3 n LEU 94 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3fn3 n GLY 95 N 1.33 1.67 2.87 -0.72 0.00 -0.92 -4.76 105.19 104.66 3fn3 n GLY 95 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3fn3 n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fn3 s ASN 96 N -2.00 4.28 -0.99 1.61 2.47 -0.55 -1.53 114.94 118.23 3fn3 s ASN 96 Ca 0.00 -1.76 -0.22 0.00 0.42 0.00 0.00 52.86 51.29 3fn3 s ASN 96 Cb 0.00 -1.20 0.06 0.00 -1.45 0.00 0.00 41.25 38.66 3fn3 s ASN 96 CO 0.00 -0.38 1.39 0.00 -3.72 0.00 0.00 177.10 174.39 3fn3 s ALA 97 N 1.31 2.82 -0.44 1.71 0.00 0.92 -3.23 121.76 124.86 3fn3 s ALA 97 Ca 0.08 -2.31 -0.16 0.00 0.00 0.00 0.00 51.96 49.57 3fn3 s ALA 97 Cb -0.18 -4.44 0.04 0.00 0.00 0.00 0.00 23.12 18.54 3fn3 s ALA 97 CO -0.16 -3.50 0.38 0.00 0.00 0.00 0.00 175.76 172.48 3fn3 s ALA 98 N 4.63 3.49 0.01 0.00 0.00 -1.26 -1.85 121.76 126.77 3fn3 s ALA 98 Ca 0.43 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 3fn3 s ALA 98 Cb -0.01 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 3fn3 s ALA 98 CO -0.09 -1.60 0.49 -1.17 0.00 0.00 0.00 175.76 173.39 3fn3 s LEU 99 N 1.82 4.47 -0.09 0.00 2.96 0.15 -1.33 118.68 126.65 3fn3 s LEU 99 Ca 0.07 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3fn3 s LEU 99 Cb -0.20 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.75 3fn3 s LEU 99 CO 0.10 0.25 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.61 3fn3 s GLN 100 N -0.80 2.51 -0.07 1.98 0.74 -0.15 -1.22 119.66 122.65 3fn3 s GLN 100 Ca 0.27 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 55.02 3fn3 s GLN 100 Cb -0.18 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.94 3fn3 s GLN 100 CO 0.15 0.08 -0.16 0.42 -0.55 0.00 0.00 175.29 175.24 3fn3 s ILE 101 N 0.57 2.91 0.19 -2.34 -1.09 0.93 -1.85 121.20 120.52 3fn3 s ILE 101 Ca -0.15 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.58 3fn3 s ILE 101 Cb -0.17 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3fn3 s ILE 101 CO 0.05 0.57 0.00 0.42 -1.23 0.00 0.00 174.94 174.75 3fn3 s THR 102 N -0.42 3.68 -1.43 2.92 -4.23 -0.90 -0.26 115.64 115.00 3fn3 s THR 102 Ca 0.05 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3fn3 s THR 102 Cb -0.12 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.88 3fn3 s THR 102 CO 0.02 -0.16 0.68 -0.67 -0.54 0.00 0.00 174.62 173.96 3fn3 n ASP 103 N -0.26 -1.93 -4.67 3.99 2.03 -0.82 -4.84 116.55 110.05 3fn3 n ASP 103 Ca -0.09 -0.89 -0.53 0.00 0.52 0.00 0.00 54.79 53.80 3fn3 n ASP 103 Cb 0.56 -3.56 -0.06 0.00 -0.72 0.00 0.00 41.12 37.34 3fn3 n ASP 103 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3fn3 n VAL 104 N -4.42 0.25 -3.19 5.18 0.31 -0.53 -4.67 118.33 111.26 3fn3 n VAL 104 Ca -0.19 -0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.06 3fn3 n VAL 104 Cb 0.63 -1.30 0.01 0.00 -0.91 0.00 0.00 33.84 32.27 3fn3 n VAL 104 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3fn3 n LYS 105 N 4.64 1.05 0.07 5.55 4.76 -1.26 -0.35 118.16 132.62 3fn3 n LYS 105 Ca 0.22 -0.66 -0.09 0.00 -2.87 0.00 0.00 58.31 54.91 3fn3 n LYS 105 Cb 0.20 -0.01 -0.12 0.00 -1.84 0.00 0.00 35.03 33.26 3fn3 n LYS 105 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3fn3 h LEU 106 N 0.00 0.09 -0.63 -0.35 5.85 -1.95 -3.25 115.31 115.08 3fn3 h LEU 106 Ca -0.06 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 3fn3 h LEU 106 Cb 0.26 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3fn3 h LEU 106 CO 0.09 1.08 -0.01 1.56 -0.34 0.00 0.00 178.44 180.82 3fn3 h GLN 107 N 0.02 1.07 0.00 1.25 7.50 -2.00 -3.23 115.11 119.71 3fn3 h GLN 107 Ca -0.04 -0.34 0.00 0.00 0.50 0.00 0.00 58.65 58.76 3fn3 h GLN 107 Cb 1.82 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 29.26 3fn3 h GLN 107 CO 0.14 1.05 0.00 -0.25 -1.50 0.00 0.00 178.83 178.27 3fn3 n ASP 108 N -4.17 0.00 -4.88 1.46 9.92 -1.23 -4.62 116.55 113.04 3fn3 n ASP 108 Ca 0.03 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.97 3fn3 n ASP 108 Cb 0.35 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.78 3fn3 n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fn3 s ALA 109 N -1.49 3.60 0.00 2.24 0.00 -1.22 -4.92 121.76 119.97 3fn3 s ALA 109 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3fn3 s ALA 109 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3fn3 s ALA 109 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.70 3fn3 n GLY 110 N -0.07 0.27 3.32 0.00 0.00 -0.88 -4.99 105.19 102.84 3fn3 n GLY 110 Ca -0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 3fn3 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fn3 s VAL 111 N -3.19 3.53 -0.11 1.61 1.01 -1.26 -0.62 120.40 121.35 3fn3 s VAL 111 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3fn3 s VAL 111 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3fn3 s VAL 111 CO 0.00 0.35 0.21 -0.31 0.00 0.00 0.00 175.10 175.35 3fn3 s TYR 112 N 1.49 3.58 -0.06 5.22 1.51 0.82 -0.71 117.35 129.19 3fn3 s TYR 112 Ca 0.05 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 3fn3 s TYR 112 Cb -0.15 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3fn3 s TYR 112 CO -0.02 0.59 -0.14 1.03 -1.11 0.00 0.00 175.55 175.90 3fn3 s ARG 113 N -0.63 2.64 -0.15 -0.62 0.52 -0.71 0.34 118.95 120.35 3fn3 s ARG 113 Ca 0.16 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3fn3 s ARG 113 Cb -0.13 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.94 3fn3 s ARG 113 CO 0.05 0.55 -0.21 0.00 0.02 0.00 0.00 175.30 175.71 3fn3 s MET 115 N 0.89 2.60 -0.13 0.00 1.00 0.30 -2.95 119.30 121.00 3fn3 s MET 115 Ca -0.05 -1.32 -0.00 0.00 0.00 0.00 0.00 55.69 54.31 3fn3 s MET 115 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 34.83 31.03 3fn3 s MET 115 CO -0.04 -0.82 -0.13 0.42 0.00 0.00 0.00 175.02 174.46 3fn3 s ILE 116 N 1.42 3.04 -0.18 2.53 1.01 0.12 0.11 121.20 129.24 3fn3 s ILE 116 Ca 0.01 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3fn3 s ILE 116 Cb -0.21 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.02 3fn3 s ILE 116 CO 0.03 0.52 -0.12 -0.55 0.00 0.00 0.00 174.94 174.82 3fn3 s SER 117 N 0.39 3.14 -0.30 3.58 0.15 0.12 -0.94 113.70 119.84 3fn3 s SER 117 Ca -0.10 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.73 3fn3 s SER 117 Cb -0.16 -1.23 0.19 0.00 -1.71 0.00 0.00 66.02 63.11 3fn3 s SER 117 CO 0.05 -0.11 0.94 -0.47 1.20 0.00 0.00 173.24 174.86 3fn3 s TYR 118 N 1.42 -0.79 0.00 3.44 5.04 -1.26 0.10 117.35 125.30 3fn3 s TYR 118 Ca 0.01 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 3fn3 s TYR 118 Cb -0.15 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.33 3fn3 s TYR 118 CO -0.09 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 3fn3 n GLY 119 N 5.26 1.62 0.00 8.97 0.00 -1.26 -4.80 105.19 114.97 3fn3 n GLY 119 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3fn3 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fn3 n GLY 120 N 0.00 -0.18 2.99 -0.02 0.00 -1.26 -5.12 105.19 101.60 3fn3 n GLY 120 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3fn3 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fn3 s ALA 121 N -3.63 -0.81 0.41 4.61 0.00 -1.26 -4.42 121.76 116.65 3fn3 s ALA 121 Ca 0.00 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3fn3 s ALA 121 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 3fn3 s ALA 121 CO 0.00 -0.97 0.04 0.34 0.00 0.00 0.00 175.76 175.17 3fn3 s ASP 122 N 2.49 3.34 -0.12 0.00 3.68 -0.12 -4.97 116.67 120.97 3fn3 s ASP 122 Ca 0.05 -1.48 -0.06 0.00 2.13 0.00 0.00 52.55 53.19 3fn3 s ASP 122 Cb -0.14 0.04 0.05 0.00 -1.45 0.00 0.00 42.92 41.42 3fn3 s ASP 122 CO -0.12 -0.66 0.27 -0.72 0.13 0.00 0.00 175.17 174.06 3fn3 s TYR 123 N -2.99 -0.38 0.32 -5.34 -0.85 -1.25 -0.71 117.35 106.15 3fn3 s TYR 123 Ca 0.27 0.88 0.05 0.00 -0.52 0.00 0.00 57.07 57.76 3fn3 s TYR 123 Cb 0.07 0.06 -0.06 0.00 0.38 0.00 0.00 41.96 42.40 3fn3 s TYR 123 CO 0.13 -0.27 0.00 0.15 -1.52 0.00 0.00 175.55 174.05 3fn3 s LYS 124 N 1.47 1.66 -0.08 -3.49 -0.14 -1.15 -4.89 119.74 113.12 3fn3 s LYS 124 Ca -0.08 -1.89 0.04 0.00 -1.36 0.00 0.00 55.97 52.68 3fn3 s LYS 124 Cb -0.10 -1.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.94 3fn3 s LYS 124 CO -0.09 -0.07 -0.21 1.03 -0.76 0.00 0.00 175.35 175.24 3fn3 s ARG 125 N -3.80 2.63 -0.15 1.68 0.52 -1.26 -1.60 118.95 116.98 3fn3 s ARG 125 Ca 0.33 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3fn3 s ARG 125 Cb 0.07 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 3fn3 s ARG 125 CO 0.14 0.18 -0.09 0.42 0.02 0.00 0.00 175.30 175.98 3fn3 s ILE 126 N 0.31 3.38 0.02 1.52 1.01 0.15 -4.78 121.20 122.80 3fn3 s ILE 126 Ca -0.15 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 3fn3 s ILE 126 Cb -0.17 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 3fn3 s ILE 126 CO 0.07 0.50 0.77 -0.89 0.00 0.00 0.00 174.94 175.39 3fn3 s THR 127 N 0.49 4.82 -0.25 2.92 2.01 0.11 -0.13 115.64 125.61 3fn3 s THR 127 Ca -0.07 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.58 3fn3 s THR 127 Cb -0.15 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.30 3fn3 s THR 127 CO 0.04 0.32 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.48 3fn3 s VAL 128 N 0.23 2.12 -0.23 3.82 1.01 0.21 -0.53 120.40 127.02 3fn3 s VAL 128 Ca 0.39 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 3fn3 s VAL 128 Cb -0.20 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3fn3 s VAL 128 CO 0.22 0.06 0.29 -0.54 0.00 0.00 0.00 175.10 175.13 3fn3 s LYS 129 N 1.14 4.10 -0.37 2.72 1.02 0.17 -2.07 119.74 126.46 3fn3 s LYS 129 Ca -0.07 -0.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.77 3fn3 s LYS 129 Cb -0.19 -3.56 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3fn3 s LYS 129 CO -0.06 -0.04 0.22 0.08 -0.92 0.00 0.00 175.35 174.63 3fn3 s VAL 130 N 1.33 4.78 -0.08 3.17 1.01 -1.26 -1.30 120.40 128.05 3fn3 s VAL 130 Ca 0.13 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3fn3 s VAL 130 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3fn3 s VAL 130 CO 0.07 -0.17 0.51 0.20 0.00 0.00 0.00 175.10 175.70 3fn3 s ASN 131 N 1.61 6.77 -0.75 3.32 -0.87 -0.88 -4.92 114.94 119.22 3fn3 s ASN 131 Ca 0.03 0.92 0.01 0.00 -1.57 0.00 0.00 52.86 52.25 3fn3 s ASN 131 Cb -0.19 -2.31 0.18 0.00 -0.02 0.00 0.00 41.25 38.92 3fn3 s ASN 131 CO 0.08 0.04 0.57 0.00 -2.57 0.00 0.00 177.10 175.22 3fn3 s ALA 132 N 0.33 3.90 0.30 0.60 0.00 -1.26 -0.97 121.76 124.66 3fn3 s ALA 132 Ca 0.27 -3.68 -0.24 0.00 0.00 0.00 0.00 51.96 48.31 3fn3 s ALA 132 Cb -0.16 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.35 3fn3 s ALA 132 CO 0.12 -2.11 0.89 -1.25 0.00 0.00 0.00 175.76 173.41 3fn3 s PRO 133 N -1.05 4.48 -1.18 0.00 0.04 -1.26 -2.01 135.00 134.02 3fn3 s PRO 133 Ca 0.24 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 3fn3 s PRO 133 Cb -0.11 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 3fn3 s PRO 133 CO -0.11 0.29 1.95 0.71 0.04 0.00 0.00 177.00 179.88 3fn3 s TYR 134 N -1.63 1.91 0.00 0.56 2.02 -1.25 -4.60 117.35 114.36 3fn3 s TYR 134 Ca 0.49 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.77 3fn3 s TYR 134 Cb -0.18 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.43 3fn3 s TYR 134 CO 0.22 -1.17 0.17 0.27 -1.57 0.00 0.00 175.55 173.48 3fn3 n ASN 135 N 14.72 0.34 -4.23 2.29 0.23 -1.26 -4.69 115.26 122.66 3fn3 n ASN 135 Ca 0.45 -0.71 -0.42 0.00 -0.53 0.00 0.00 54.58 53.36 3fn3 n ASN 135 Cb 0.47 0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.34 3fn3 n ASN 135 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3fn3 s LYS 136 N -0.23 3.03 -0.32 -3.83 3.01 -1.26 -5.04 119.74 115.09 3fn3 s LYS 136 Ca 0.00 -2.34 -0.12 0.00 -1.01 0.00 0.00 55.97 52.51 3fn3 s LYS 136 Cb 0.00 -4.10 -0.02 0.00 -1.01 0.00 0.00 37.83 32.70 3fn3 s LYS 136 CO 0.00 -1.24 0.20 0.42 0.51 0.00 0.00 175.35 175.25 3fn3 s ILE 137 N 0.35 5.12 0.11 2.17 1.01 -1.26 -4.51 121.20 124.19 3fn3 s ILE 137 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3fn3 s ILE 137 Cb -0.17 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 3fn3 s ILE 137 CO -0.05 0.08 0.43 0.20 0.00 0.00 0.00 174.94 175.60 3fn3 s ASN 138 N 1.71 6.65 -0.07 3.58 0.01 -0.22 -4.95 114.94 121.64 3fn3 s ASN 138 Ca 0.06 0.82 -0.08 0.00 -0.71 0.00 0.00 52.86 52.95 3fn3 s ASN 138 Cb -0.17 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.32 3fn3 s ASN 138 CO 0.09 0.12 0.22 0.00 -1.51 0.00 0.00 177.10 176.02 3fn3 s GLN 139 N -2.10 0.31 0.02 -0.60 -2.07 -1.26 -0.52 119.66 113.44 3fn3 s GLN 139 Ca 0.36 0.20 0.04 0.00 -1.82 0.00 0.00 55.36 54.15 3fn3 s GLN 139 Cb -0.14 0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.91 3fn3 s GLN 139 CO 0.19 -0.05 -0.13 0.50 -1.32 0.00 0.00 175.29 174.48 3fn3 s ARG 140 N -0.13 0.94 -0.21 9.60 3.52 0.03 -4.98 118.95 127.72 3fn3 s ARG 140 Ca -0.02 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3fn3 s ARG 140 Cb -0.02 -0.93 0.05 0.00 -1.56 0.00 0.00 34.95 32.48 3fn3 s ARG 140 CO 0.01 0.24 -0.07 0.42 -0.81 0.00 0.00 175.30 175.08 3fn3 s ILE 141 N -0.66 1.49 0.03 4.11 1.01 -1.26 -0.72 121.20 125.21 3fn3 s ILE 141 Ca 0.02 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3fn3 s ILE 141 Cb -0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3fn3 s ILE 141 CO 0.01 0.05 -0.09 -0.76 0.00 0.00 0.00 174.94 174.14 3fn3 s LEU 142 N 1.44 3.06 -0.65 2.97 1.43 0.24 -4.97 118.68 122.20 3fn3 s LEU 142 Ca -0.03 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 3fn3 s LEU 142 Cb -0.17 -1.78 0.10 0.00 0.03 0.00 0.00 46.19 44.36 3fn3 s LEU 142 CO -0.07 0.26 0.83 0.54 0.23 0.00 0.00 176.35 178.13 3fn3 s VAL 143 N -1.03 4.68 0.18 -1.59 0.11 -1.26 0.36 120.40 121.85 3fn3 s VAL 143 Ca 0.18 -0.90 0.20 0.00 -2.93 0.00 0.00 61.98 58.52 3fn3 s VAL 143 Cb -0.11 -4.58 0.16 0.00 -1.53 0.00 0.00 36.38 30.32 3fn3 s VAL 143 CO 0.08 -1.26 1.77 0.58 -3.33 0.00 0.00 175.10 172.94 3fn3 h VAL 144 N 5.89 0.83 -0.73 2.04 2.07 -1.69 -3.43 116.25 121.23 3fn3 h VAL 144 Ca -0.24 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 65.94 3fn3 h VAL 144 Cb 1.07 1.87 -0.20 0.00 -1.52 0.00 0.00 31.29 32.51 3fn3 h VAL 144 CO 1.12 0.33 -0.28 -0.62 0.02 0.00 0.00 177.57 178.14 3fn3 s ASP 145 N -6.40 -1.17 0.27 0.57 -1.08 -1.17 -5.01 116.67 102.66 3fn3 s ASP 145 Ca -0.00 -0.14 -0.03 0.00 -0.52 0.00 0.00 52.55 51.86 3fn3 s ASP 145 Cb 0.11 1.64 0.34 0.00 -1.46 0.00 0.00 42.92 43.55 3fn3 s ASP 145 CO 0.68 -0.18 1.84 1.55 0.52 0.00 0.00 175.17 179.57 3fn3 h PRO 146 N 7.24 0.97 -0.52 4.34 0.13 -1.84 -0.77 132.00 141.56 3fn3 h PRO 146 Ca -0.02 -0.17 0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3fn3 h PRO 146 Cb 1.19 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 3fn3 h PRO 146 CO 0.05 0.80 0.35 0.28 -0.23 0.00 0.00 178.00 179.26 3fn3 h VAL 147 N 0.95 0.89 -0.02 1.56 2.07 -1.97 -1.77 116.25 117.97 3fn3 h VAL 147 Ca 0.22 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3fn3 h VAL 147 Cb 0.20 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3fn3 h VAL 147 CO -0.02 0.06 -0.44 0.41 0.02 0.00 0.00 177.57 177.60 3fn3 n THR 148 N -4.46 0.00 -3.83 2.57 -1.04 -0.97 -4.94 114.28 101.60 3fn3 n THR 148 Ca 0.08 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.52 3fn3 n THR 148 Cb 0.36 1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 70.11 3fn3 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3fn3 n SER 149 N 0.07 -3.03 -4.79 8.00 3.41 -0.33 -4.69 113.62 112.26 3fn3 n SER 149 Ca 0.10 -0.70 -0.39 0.00 -0.26 0.00 0.00 58.87 57.61 3fn3 n SER 149 Cb 0.48 -2.53 -0.06 0.00 -0.26 0.00 0.00 64.21 61.84 3fn3 n SER 149 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3fn3 s GLU 150 N -6.50 4.41 0.11 4.33 2.12 -1.02 -1.15 118.70 121.01 3fn3 s GLU 150 Ca 0.58 0.97 0.08 0.00 0.36 0.00 0.00 54.97 56.97 3fn3 s GLU 150 Cb -0.32 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3fn3 s GLU 150 CO 0.71 0.56 -0.20 -1.01 -0.54 0.00 0.00 175.26 174.78 3fn3 s HIS 151 N -0.99 1.76 -0.29 5.30 3.76 0.22 -1.83 115.29 123.21 3fn3 s HIS 151 Ca 0.33 -0.43 -0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3fn3 s HIS 151 Cb -0.21 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 3fn3 s HIS 151 CO 0.23 0.21 0.16 -2.00 -0.85 0.00 0.00 174.74 172.49 3fn3 s GLU 152 N -1.99 3.68 -0.15 1.40 2.12 0.16 -1.60 118.70 122.32 3fn3 s GLU 152 Ca 0.07 -0.49 -0.07 0.00 0.36 0.00 0.00 54.97 54.84 3fn3 s GLU 152 Cb -0.10 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3fn3 s GLU 152 CO 0.04 -0.27 0.10 -0.51 -0.54 0.00 0.00 175.26 174.08 3fn3 s LEU 153 N 1.69 4.10 0.03 2.70 1.43 0.30 0.83 118.68 129.76 3fn3 s LEU 153 Ca 0.06 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3fn3 s LEU 153 Cb -0.16 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3fn3 s LEU 153 CO 0.08 0.30 -0.12 -0.89 0.23 0.00 0.00 176.35 175.95 3fn3 s THR 154 N -0.39 0.98 -0.04 5.49 2.01 0.10 0.15 115.64 123.95 3fn3 s THR 154 Ca 0.10 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 3fn3 s THR 154 Cb -0.12 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.51 3fn3 s THR 154 CO 0.02 0.00 0.10 0.00 -0.69 0.00 0.00 174.62 174.05 3fn3 s GLN 156 N 0.09 0.29 -0.07 0.00 0.74 0.32 -0.34 119.66 120.68 3fn3 s GLN 156 Ca -0.00 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 3fn3 s GLN 156 Cb -0.01 0.12 0.10 0.00 1.10 0.00 0.00 33.01 34.32 3fn3 s GLN 156 CO -0.00 -0.06 0.83 0.00 -0.55 0.00 0.00 175.29 175.51 3fn3 s ALA 157 N -0.70 -1.83 0.12 1.58 0.00 -0.99 -1.06 121.76 118.88 3fn3 s ALA 157 Ca -0.08 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3fn3 s ALA 157 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3fn3 s ALA 157 CO 0.01 -0.41 -0.01 -1.21 0.00 0.00 0.00 175.76 174.13 3fn3 s GLU 158 N -1.58 2.46 0.00 0.00 2.02 -1.26 -1.67 118.70 118.67 3fn3 s GLU 158 Ca -0.04 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.01 3fn3 s GLU 158 Cb -0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3fn3 s GLU 158 CO 0.03 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3fn3 n GLY 159 N 0.37 1.19 3.64 -1.39 0.00 -1.06 -3.83 105.19 104.12 3fn3 n GLY 159 Ca -0.11 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 3fn3 n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fn3 s TYR 160 N -1.84 -0.52 0.00 1.61 5.04 -0.85 -1.46 117.35 119.32 3fn3 s TYR 160 Ca 0.00 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 3fn3 s TYR 160 Cb 0.00 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.66 3fn3 s TYR 160 CO 0.00 -0.25 0.00 -0.35 -1.34 0.00 0.00 175.55 173.61 3fn3 n PRO 161 N 2.27 0.74 -1.76 4.97 -0.04 -1.26 -4.40 135.00 135.52 3fn3 n PRO 161 Ca -0.13 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 3fn3 n PRO 161 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 3fn3 n PRO 161 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3fn3 n LYS 162 N -0.19 2.19 -4.40 0.54 5.02 -1.26 -4.90 118.16 115.16 3fn3 n LYS 162 Ca 0.00 0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 56.82 3fn3 n LYS 162 Cb 0.00 -2.63 -0.10 0.00 -0.02 0.00 0.00 35.03 32.28 3fn3 n LYS 162 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fn3 s ALA 163 N -1.20 2.73 0.22 7.82 0.00 -1.26 -4.66 121.76 125.41 3fn3 s ALA 163 Ca 0.62 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3fn3 s ALA 163 Cb -0.44 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3fn3 s ALA 163 CO 0.56 0.38 0.23 -1.83 0.00 0.00 0.00 175.76 175.10 3fn3 s GLU 164 N -3.04 3.10 -0.23 0.00 -1.05 -0.53 -4.84 118.70 112.11 3fn3 s GLU 164 Ca 0.25 -0.89 -0.00 0.00 -0.15 0.00 0.00 54.97 54.18 3fn3 s GLU 164 Cb -0.07 -2.71 0.03 0.00 -0.44 0.00 0.00 34.13 30.94 3fn3 s GLU 164 CO 0.13 0.44 -0.10 0.08 0.95 0.00 0.00 175.26 176.76 3fn3 s VAL 165 N -1.96 2.59 -0.23 1.83 1.01 -1.26 0.46 120.40 122.84 3fn3 s VAL 165 Ca 0.33 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3fn3 s VAL 165 Cb -0.09 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3fn3 s VAL 165 CO 0.26 0.26 0.08 -0.63 0.00 0.00 0.00 175.10 175.08 3fn3 s ILE 166 N 1.29 4.62 -0.16 2.22 1.01 0.25 -4.90 121.20 125.53 3fn3 s ILE 166 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3fn3 s ILE 166 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3fn3 s ILE 166 CO -0.07 0.37 0.09 0.26 0.00 0.00 0.00 174.94 175.59 3fn3 s TRP 167 N 1.14 3.36 0.14 3.97 0.52 -1.26 0.51 118.94 127.32 3fn3 s TRP 167 Ca 0.05 0.26 -0.02 0.00 0.02 0.00 0.00 56.10 56.40 3fn3 s TRP 167 Cb -0.14 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 3fn3 s TRP 167 CO 0.04 0.38 0.10 0.95 0.02 0.00 0.00 176.95 178.43 3fn3 s THR 168 N -0.17 0.09 0.36 2.01 -4.23 -0.93 -4.42 115.64 108.36 3fn3 s THR 168 Ca 0.09 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3fn3 s THR 168 Cb -0.12 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.64 3fn3 s THR 168 CO 0.01 -0.42 0.06 -0.94 -0.54 0.00 0.00 174.62 172.79 3fn3 s SER 169 N -3.04 2.77 0.00 3.99 1.04 -1.26 -0.84 113.70 116.36 3fn3 s SER 169 Ca 0.24 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3fn3 s SER 169 Cb 0.07 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3fn3 s SER 169 CO 0.02 -0.65 0.00 -0.24 0.98 0.00 0.00 173.24 173.34 3fn3 n SER 170 N -0.86 0.00 0.00 7.02 2.88 0.19 -0.07 113.62 122.78 3fn3 n SER 170 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 3fn3 n SER 170 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3fn3 n SER 170 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3fn3 n ASP 171 N -0.22 0.00 -2.99 -3.46 5.75 -1.26 -5.03 116.55 109.34 3fn3 n ASP 171 Ca 0.00 -1.00 -0.17 0.00 -0.01 0.00 0.00 54.79 53.61 3fn3 n ASP 171 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 3fn3 n ASP 171 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3fn3 n HIS 172 N 0.00 -2.09 -1.77 2.11 8.25 0.90 -5.04 115.22 117.58 3fn3 n HIS 172 Ca 0.00 0.80 -0.29 0.00 -0.26 0.00 0.00 57.72 57.96 3fn3 n HIS 172 Cb 0.36 -4.38 0.08 0.00 1.12 0.00 0.00 29.99 27.18 3fn3 n HIS 172 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3fn3 s GLN 173 N -5.64 2.11 -1.00 -0.41 -2.07 -1.26 -4.88 119.66 106.51 3fn3 s GLN 173 Ca 0.27 0.34 -0.21 0.00 -1.82 0.00 0.00 55.36 53.94 3fn3 s GLN 173 Cb -0.12 -1.95 0.09 0.00 -1.09 0.00 0.00 33.01 29.94 3fn3 s GLN 173 CO 0.59 -1.54 1.33 0.54 -1.32 0.00 0.00 175.29 174.90 3fn3 s VAL 174 N -3.38 4.27 0.12 3.63 0.11 -1.26 -4.53 120.40 119.36 3fn3 s VAL 174 Ca 0.61 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 3fn3 s VAL 174 Cb -0.12 -4.95 -0.04 0.00 -1.53 0.00 0.00 36.38 29.73 3fn3 s VAL 174 CO 0.52 -1.77 0.29 -0.76 -3.33 0.00 0.00 175.10 170.05 3fn3 s LEU 175 N 3.96 4.31 -0.03 2.54 1.43 -1.26 -5.12 118.68 124.51 3fn3 s LEU 175 Ca 0.41 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 3fn3 s LEU 175 Cb -0.02 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.16 3fn3 s LEU 175 CO -0.09 0.09 0.14 -0.44 0.23 0.00 0.00 176.35 176.28 3fn3 s SER 176 N -2.75 -0.07 0.33 2.29 0.01 -1.26 -4.77 113.70 107.48 3fn3 s SER 176 Ca 0.37 0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.75 3fn3 s SER 176 Cb -0.12 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 3fn3 s SER 176 CO 0.28 -0.20 0.25 -0.83 0.41 0.00 0.00 173.24 173.15 3fn3 s GLY 177 N -0.62 2.33 -0.28 3.44 0.00 -1.26 -4.61 107.32 106.31 3fn3 s GLY 177 Ca -0.07 -1.96 -0.10 0.00 0.00 0.00 0.00 44.72 42.60 3fn3 s GLY 177 CO 0.01 -1.51 0.14 0.54 0.00 0.00 0.00 173.10 172.28 3fn3 s LYS 178 N -3.51 3.63 -0.18 2.90 -0.14 -0.42 -4.88 119.74 117.13 3fn3 s LYS 178 Ca 0.39 -0.52 -0.09 0.00 -1.36 0.00 0.00 55.97 54.39 3fn3 s LYS 178 Cb 0.03 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 3fn3 s LYS 178 CO 0.25 -0.28 0.13 0.99 -0.76 0.00 0.00 175.35 175.68 3fn3 s THR 179 N 1.67 5.37 -0.21 2.17 2.01 -1.26 -0.72 115.64 124.67 3fn3 s THR 179 Ca 0.06 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3fn3 s THR 179 Cb -0.16 -3.42 0.06 0.00 0.01 0.00 0.00 72.50 68.98 3fn3 s THR 179 CO 0.07 0.48 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.57 3fn3 s THR 180 N 0.05 1.08 -0.23 -0.82 2.01 0.22 -4.96 115.64 112.99 3fn3 s THR 180 Ca 0.09 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3fn3 s THR 180 Cb -0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 3fn3 s THR 180 CO -0.01 -0.10 0.16 -0.89 -0.69 0.00 0.00 174.62 173.10 3fn3 s THR 181 N 1.61 5.36 0.37 -0.82 2.01 -1.26 -1.16 115.64 121.75 3fn3 s THR 181 Ca -0.03 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.24 3fn3 s THR 181 Cb -0.18 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 3fn3 s THR 181 CO -0.07 0.36 0.03 0.42 -0.69 0.00 0.00 174.62 174.67 3fn3 s THR 182 N 0.89 1.62 0.34 -0.82 -4.23 0.49 -4.97 115.64 108.96 3fn3 s THR 182 Ca 0.08 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.32 3fn3 s THR 182 Cb -0.13 -2.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.72 3fn3 s THR 182 CO 0.03 -0.01 1.07 0.20 -0.54 0.00 0.00 174.62 175.37 3fn3 s ASN 183 N -3.60 7.01 0.21 3.99 -0.87 -1.26 -0.48 114.94 119.94 3fn3 s ASN 183 Ca 0.36 2.15 -0.30 0.00 -1.57 0.00 0.00 52.86 53.49 3fn3 s ASN 183 Cb 0.09 -2.61 -0.09 0.00 -0.02 0.00 0.00 41.25 38.63 3fn3 s ASN 183 CO 0.17 -0.32 1.37 -0.55 -2.57 0.00 0.00 177.10 175.20 3fn3 s SER 184 N -1.23 6.80 0.26 -1.22 0.15 0.10 -4.56 113.70 114.01 3fn3 s SER 184 Ca 0.51 2.50 0.08 0.00 0.70 0.00 0.00 55.95 59.74 3fn3 s SER 184 Cb -0.27 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 61.76 3fn3 s SER 184 CO 0.34 -0.60 1.60 0.11 1.20 0.00 0.00 173.24 175.89 3fn3 h LYS 185 N 5.37 0.08 0.01 5.44 1.57 -1.93 -3.39 116.57 123.73 3fn3 h LYS 185 Ca -0.45 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.00 3fn3 h LYS 185 Cb 1.21 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3fn3 h LYS 185 CO 0.78 0.66 -1.47 0.54 -0.57 0.00 0.00 179.45 179.39 3fn3 n ARG 186 N -3.84 0.59 -3.70 3.15 1.74 -1.26 -4.67 116.66 108.67 3fn3 n ARG 186 Ca -0.02 0.52 -0.38 0.00 -0.77 0.00 0.00 57.85 57.20 3fn3 n ARG 186 Cb 0.61 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 3fn3 n ARG 186 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3fn3 s GLU 187 N -2.40 2.21 0.34 5.56 8.01 -1.26 -5.02 118.70 126.14 3fn3 s GLU 187 Ca -0.29 -1.75 0.14 0.00 0.01 0.00 0.00 54.97 53.07 3fn3 s GLU 187 Cb 0.07 -3.69 1.11 0.00 -4.31 0.00 0.00 34.13 27.31 3fn3 s GLU 187 CO 0.60 -1.08 1.51 -0.85 0.01 0.00 0.00 175.26 175.44 3fn3 n GLU 188 N 4.72 -0.06 0.00 1.61 0.28 -1.26 -1.48 120.64 124.45 3fn3 n GLU 188 Ca -0.05 1.36 0.14 0.00 -0.16 0.00 0.00 57.16 58.45 3fn3 n GLU 188 Cb 0.41 -2.34 0.63 0.00 1.43 0.00 0.00 31.44 31.57 3fn3 n GLU 188 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3fn3 n LYS 189 N -5.25 0.16 -2.38 3.44 5.02 -1.26 -4.50 118.16 113.38 3fn3 n LYS 189 Ca 0.32 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.27 3fn3 n LYS 189 Cb 1.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 3fn3 n LYS 189 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fn3 s LEU 190 N -2.85 3.63 -0.13 -0.35 1.43 -0.55 -4.94 118.68 114.92 3fn3 s LEU 190 Ca 0.19 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3fn3 s LEU 190 Cb 0.19 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 3fn3 s LEU 190 CO 0.52 -0.63 0.24 -0.36 0.23 0.00 0.00 176.35 176.36 3fn3 s PHE 191 N -2.59 3.54 -0.42 0.29 2.99 -0.54 0.02 117.98 121.26 3fn3 s PHE 191 Ca 0.59 0.60 -0.16 0.00 0.00 0.00 0.00 56.93 57.97 3fn3 s PHE 191 Cb -0.10 -2.19 0.03 0.00 0.00 0.00 0.00 43.02 40.76 3fn3 s PHE 191 CO 0.31 0.46 0.36 1.21 -0.00 0.00 0.00 175.22 177.57 3fn3 s ASN 192 N -0.26 6.14 -0.24 1.36 2.47 0.36 -2.56 114.94 122.22 3fn3 s ASN 192 Ca 0.16 -0.90 -0.05 0.00 0.42 0.00 0.00 52.86 52.49 3fn3 s ASN 192 Cb -0.13 -2.18 -0.01 0.00 -1.45 0.00 0.00 41.25 37.48 3fn3 s ASN 192 CO 0.05 -0.53 0.00 -0.69 -3.72 0.00 0.00 177.10 172.21 3fn3 s VAL 193 N 1.83 3.62 -0.09 -5.21 1.01 -0.67 -0.38 120.40 120.51 3fn3 s VAL 193 Ca 0.07 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3fn3 s VAL 193 Cb -0.19 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3fn3 s VAL 193 CO 0.11 0.32 -0.23 -0.89 0.00 0.00 0.00 175.10 174.41 3fn3 s THR 194 N 1.49 1.94 0.19 3.92 2.01 -0.31 -2.33 115.64 122.55 3fn3 s THR 194 Ca 0.05 -0.95 0.11 0.00 0.31 0.00 0.00 61.69 61.20 3fn3 s THR 194 Cb -0.15 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3fn3 s THR 194 CO -0.01 0.53 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.68 3fn3 s SER 195 N 0.36 3.21 -0.06 3.53 0.15 0.54 0.72 113.70 122.14 3fn3 s SER 195 Ca -0.18 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 3fn3 s SER 195 Cb -0.18 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 3fn3 s SER 195 CO 0.08 0.07 0.13 -0.89 1.20 0.00 0.00 173.24 173.83 3fn3 s THR 196 N -1.80 -0.15 -0.11 6.45 2.01 0.10 -1.77 115.64 120.38 3fn3 s THR 196 Ca 0.19 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.49 3fn3 s THR 196 Cb -0.07 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 3fn3 s THR 196 CO 0.09 0.12 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.80 3fn3 s LEU 197 N 1.78 2.80 -0.13 4.42 0.20 0.40 -1.31 118.68 126.84 3fn3 s LEU 197 Ca -0.02 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.52 3fn3 s LEU 197 Cb -0.12 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 3fn3 s LEU 197 CO -0.05 0.22 -0.05 -0.13 -0.29 0.00 0.00 176.35 176.04 3fn3 s ARG 198 N 0.04 3.46 -0.14 1.98 0.52 -1.26 -0.54 118.95 123.01 3fn3 s ARG 198 Ca -0.04 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 3fn3 s ARG 198 Cb -0.14 -2.82 0.11 0.00 0.52 0.00 0.00 34.95 32.62 3fn3 s ARG 198 CO 0.04 0.33 0.90 -1.50 0.02 0.00 0.00 175.30 175.09 3fn3 s ILE 199 N 0.11 0.00 0.11 1.52 1.10 -0.63 -4.98 121.20 118.44 3fn3 s ILE 199 Ca -0.02 0.00 -0.10 0.00 -0.51 0.00 0.00 60.65 60.02 3fn3 s ILE 199 Cb -0.14 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.41 3fn3 s ILE 199 CO 0.03 0.00 0.44 0.20 -2.11 0.00 0.00 174.94 173.50 3fn3 s ASN 200 N -0.98 6.65 -0.25 4.50 0.01 -1.26 0.69 114.94 124.31 3fn3 s ASN 200 Ca -0.04 0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 52.65 3fn3 s ASN 200 Cb -0.01 -2.19 0.17 0.00 0.41 0.00 0.00 41.25 39.63 3fn3 s ASN 200 CO 0.03 0.12 1.25 0.28 -1.51 0.00 0.00 177.10 177.28 3fn3 s THR 201 N -1.49 0.00 1.13 1.60 -1.32 -0.30 -4.95 115.64 110.32 3fn3 s THR 201 Ca 0.36 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.67 3fn3 s THR 201 Cb -0.14 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.11 3fn3 s THR 201 CO 0.19 0.00 1.11 0.42 -2.21 0.00 0.00 174.62 174.13 3fn3 s THR 202 N -0.95 1.74 0.72 5.08 -4.23 -1.26 -4.85 115.64 111.89 3fn3 s THR 202 Ca 0.06 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 3fn3 s THR 202 Cb -0.01 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.35 3fn3 s THR 202 CO -0.06 0.00 1.07 0.28 -0.54 0.00 0.00 174.62 175.37 3fn3 s THR 203 N -3.02 3.79 -1.07 3.99 -1.32 -1.26 -3.97 115.64 112.78 3fn3 s THR 203 Ca 0.69 0.58 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 3fn3 s THR 203 Cb -0.12 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 3fn3 s THR 203 CO 0.56 -0.76 0.00 0.59 -2.21 0.00 0.00 174.62 172.81 3fn3 n ASN 204 N -3.24 -2.75 -4.85 8.08 3.02 0.18 -4.96 115.26 110.75 3fn3 n ASN 204 Ca 0.08 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.56 3fn3 n ASN 204 Cb 0.54 -2.66 -0.03 0.00 -0.61 0.00 0.00 39.78 37.02 3fn3 n ASN 204 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fn3 s GLU 205 N -3.02 3.88 -0.14 3.52 0.41 -1.25 -4.77 118.70 117.33 3fn3 s GLU 205 Ca 0.00 0.87 0.01 0.00 -0.41 0.00 0.00 54.97 55.44 3fn3 s GLU 205 Cb 0.00 -2.16 0.02 0.00 -1.78 0.00 0.00 34.13 30.21 3fn3 s GLU 205 CO 0.00 -0.28 -0.17 0.42 -0.49 0.00 0.00 175.26 174.73 3fn3 s ILE 206 N -2.67 1.72 0.35 -1.63 1.09 -1.26 -1.60 121.20 117.20 3fn3 s ILE 206 Ca 0.57 -0.76 0.07 0.00 -1.10 0.00 0.00 60.65 59.44 3fn3 s ILE 206 Cb -0.10 -1.57 -0.07 0.00 -1.06 0.00 0.00 42.46 39.66 3fn3 s ILE 206 CO 0.34 0.48 -0.02 -0.36 -0.10 0.00 0.00 174.94 175.29 3fn3 s PHE 207 N 1.13 2.28 -0.03 3.97 0.40 -1.05 0.58 117.98 125.26 3fn3 s PHE 207 Ca -0.02 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 3fn3 s PHE 207 Cb -0.14 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 41.94 3fn3 s PHE 207 CO -0.06 0.38 0.06 0.71 0.70 0.00 0.00 175.22 177.01 3fn3 s TYR 208 N -2.85 -0.07 -0.34 0.36 1.51 -0.02 -0.81 117.35 115.15 3fn3 s TYR 208 Ca 0.34 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.46 3fn3 s TYR 208 Cb 0.07 0.01 -0.00 0.00 -0.11 0.00 0.00 41.96 41.92 3fn3 s TYR 208 CO 0.16 -0.04 0.20 0.00 -1.11 0.00 0.00 175.55 174.76 3fn3 s THR 210 N 1.65 5.36 -0.01 0.00 2.01 0.18 -1.11 115.64 123.72 3fn3 s THR 210 Ca 0.05 0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 3fn3 s THR 210 Cb -0.18 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 3fn3 s THR 210 CO 0.08 0.40 0.40 -0.36 -0.69 0.00 0.00 174.62 174.45 3fn3 s PHE 211 N 0.52 3.72 -0.09 4.92 0.40 0.23 0.87 117.98 128.54 3fn3 s PHE 211 Ca 0.11 0.97 -0.01 0.00 -0.60 0.00 0.00 56.93 57.40 3fn3 s PHE 211 Cb -0.12 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.16 3fn3 s PHE 211 CO 0.01 0.63 -0.03 0.50 0.70 0.00 0.00 175.22 177.04 3fn3 s ARG 212 N -1.02 0.93 0.23 0.44 3.52 0.17 -1.44 118.95 121.78 3fn3 s ARG 212 Ca 0.23 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 3fn3 s ARG 212 Cb -0.16 -1.19 -0.03 0.00 -1.56 0.00 0.00 34.95 32.00 3fn3 s ARG 212 CO 0.13 -0.29 0.30 1.03 -0.81 0.00 0.00 175.30 175.65 3fn3 s ARG 213 N 1.88 3.29 0.06 5.12 0.52 0.10 -1.45 118.95 128.47 3fn3 s ARG 213 Ca 0.05 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3fn3 s ARG 213 Cb -0.12 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.54 3fn3 s ARG 213 CO -0.06 0.44 0.03 1.28 0.02 0.00 0.00 175.30 177.01 3fn3 n LEU 214 N -1.18 0.00 -3.50 2.53 4.77 -1.26 -0.09 117.00 118.27 3fn3 n LEU 214 Ca -0.08 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.40 3fn3 n LEU 214 Cb 0.57 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3fn3 n LEU 214 CO 0.45 -0.21 -0.01 0.47 -1.33 0.00 0.00 177.39 176.76 3fn3 n ASP 215 N -1.64 -6.02 -4.81 -1.43 9.92 -1.26 -4.08 116.55 107.22 3fn3 n ASP 215 Ca -0.01 -0.61 -0.34 0.00 -0.53 0.00 0.00 54.79 53.31 3fn3 n ASP 215 Cb 0.07 -3.11 -0.07 0.00 -0.64 0.00 0.00 41.12 37.38 3fn3 n ASP 215 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3fn3 s PRO 216 N -4.16 4.25 -0.41 -0.24 0.04 -1.26 -5.00 135.00 128.21 3fn3 s PRO 216 Ca 0.00 1.18 -0.36 0.00 0.04 0.00 0.00 61.00 61.87 3fn3 s PRO 216 Cb -0.00 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 32.14 3fn3 s PRO 216 CO 0.84 -0.02 2.22 -1.91 0.04 0.00 0.00 177.00 178.17 3fn3 n GLU 217 N -0.47 0.86 -4.94 4.56 2.13 -1.26 -4.92 120.64 116.61 3fn3 n GLU 217 Ca 0.06 0.22 -0.31 0.00 0.66 0.00 0.00 57.16 57.79 3fn3 n GLU 217 Cb 0.53 -2.31 -0.14 0.00 0.27 0.00 0.00 31.44 29.79 3fn3 n GLU 217 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3fn3 s GLU 218 N 6.43 2.07 -0.04 5.31 2.12 0.87 -4.90 118.70 130.55 3fn3 s GLU 218 Ca 1.12 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 55.51 3fn3 s GLU 218 Cb -0.94 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 31.34 3fn3 s GLU 218 CO 0.50 0.55 -0.10 -0.80 -0.54 0.00 0.00 175.26 174.87 3fn3 s ASN 219 N -1.06 1.48 -0.05 -1.70 0.01 -1.26 -0.72 114.94 111.64 3fn3 s ASN 219 Ca 0.12 -0.24 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 3fn3 s ASN 219 Cb -0.10 -0.56 0.02 0.00 0.41 0.00 0.00 41.25 41.02 3fn3 s ASN 219 CO 0.02 0.04 -0.07 -1.00 -1.51 0.00 0.00 177.10 174.58 3fn3 s HIS 220 N 0.46 0.98 0.18 2.20 3.76 -0.52 -4.99 115.29 117.37 3fn3 s HIS 220 Ca -0.09 -0.31 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 3fn3 s HIS 220 Cb -0.13 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 3fn3 s HIS 220 CO 0.02 -0.20 -0.17 -0.08 -0.85 0.00 0.00 174.74 173.46 3fn3 s THR 221 N 0.72 1.81 0.03 1.30 -1.32 -1.26 0.75 115.64 117.67 3fn3 s THR 221 Ca -0.11 -2.03 0.02 0.00 -1.21 0.00 0.00 61.69 58.36 3fn3 s THR 221 Cb -0.14 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 3fn3 s THR 221 CO 0.01 -0.41 -0.08 0.00 -2.21 0.00 0.00 174.62 171.93 3fn3 s ALA 222 N -2.37 0.60 -0.14 11.08 0.00 -0.27 -4.97 121.76 125.69 3fn3 s ALA 222 Ca 0.18 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 3fn3 s ALA 222 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3fn3 s ALA 222 CO 0.07 0.04 0.03 -2.00 0.00 0.00 0.00 175.76 173.89 3fn3 s GLU 223 N -1.18 3.52 -0.17 0.00 2.12 -1.26 -1.71 118.70 120.02 3fn3 s GLU 223 Ca -0.06 -0.38 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 3fn3 s GLU 223 Cb -0.08 -3.00 0.01 0.00 0.26 0.00 0.00 34.13 31.31 3fn3 s GLU 223 CO 0.00 0.46 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.52 3fn3 s LEU 224 N -0.19 2.40 -0.23 2.70 1.02 0.01 -5.00 118.68 119.39 3fn3 s LEU 224 Ca 0.06 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 3fn3 s LEU 224 Cb -0.12 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 3fn3 s LEU 224 CO 0.02 0.04 0.07 -0.69 0.02 0.00 0.00 176.35 175.80 3fn3 s VAL 225 N 1.10 4.42 -0.16 -1.59 1.01 -1.26 -2.52 120.40 121.40 3fn3 s VAL 225 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3fn3 s VAL 225 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3fn3 s VAL 225 CO -0.05 0.37 1.69 -0.63 0.00 0.00 0.00 175.10 176.48 3fn3 s ILE 226 N 1.31 3.57 0.81 2.22 -1.09 -0.63 -4.94 121.20 122.46 3fn3 s ILE 226 Ca 0.05 0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 59.00 3fn3 s ILE 226 Cb -0.15 -3.55 0.09 0.00 -1.58 0.00 0.00 42.46 37.28 3fn3 s ILE 226 CO 0.03 -0.19 1.18 -2.16 -1.23 0.00 0.00 174.94 172.58 3fn3 s PRO 227 N 4.61 1.63 0.00 2.79 0.04 -1.26 -0.64 135.00 142.17 3fn3 s PRO 227 Ca 0.75 1.66 0.25 0.00 0.04 0.00 0.00 61.00 63.70 3fn3 s PRO 227 Cb -0.29 -1.79 1.49 0.00 0.04 0.00 0.00 34.50 33.96 3fn3 s PRO 227 CO 0.30 -2.20 1.85 -1.91 0.04 0.00 0.00 177.00 175.09