#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fn3 n PHE 19 N 0.00 0.00 -3.85 3.17 7.35 -1.26 -5.03 117.46 117.84 3fn3 n PHE 19 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3fn3 n PHE 19 Cb 0.00 -1.50 -0.11 0.00 0.35 0.00 0.00 39.48 38.21 3fn3 n PHE 19 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3fn3 s THR 20 N 0.00 0.04 -0.05 -2.13 -4.23 -1.26 -4.87 115.64 103.14 3fn3 s THR 20 Ca 0.00 -0.33 -0.21 0.00 -1.18 0.00 0.00 61.69 59.98 3fn3 s THR 20 Cb 0.00 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 3fn3 s THR 20 CO 0.00 -0.18 0.60 -0.69 -0.54 0.00 0.00 174.62 173.81 3fn3 s VAL 21 N -0.58 5.02 0.01 2.29 1.01 -1.26 -4.65 120.40 122.23 3fn3 s VAL 21 Ca -0.07 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.20 3fn3 s VAL 21 Cb -0.04 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3fn3 s VAL 21 CO 0.01 0.35 -0.16 0.28 0.00 0.00 0.00 175.10 175.57 3fn3 s THR 22 N 0.30 1.27 -0.19 3.92 -1.32 0.34 -4.77 115.64 115.19 3fn3 s THR 22 Ca 0.32 -0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 59.97 3fn3 s THR 22 Cb -0.17 -1.08 -0.00 0.00 -1.51 0.00 0.00 72.50 69.73 3fn3 s THR 22 CO 0.16 0.26 -0.11 0.54 -2.21 0.00 0.00 174.62 173.26 3fn3 s VAL 23 N -0.53 2.96 0.59 5.08 0.11 -1.26 0.60 120.40 127.95 3fn3 s VAL 23 Ca 0.05 -0.65 0.29 0.00 -2.93 0.00 0.00 61.98 58.74 3fn3 s VAL 23 Cb -0.07 -2.30 0.36 0.00 -1.53 0.00 0.00 36.38 32.84 3fn3 s VAL 23 CO 0.00 0.48 2.16 -0.65 -3.33 0.00 0.00 175.10 173.76 3fn3 h PRO 24 N 7.70 0.00 -1.81 1.54 0.11 -1.98 -3.43 132.00 134.12 3fn3 h PRO 24 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3fn3 h PRO 24 Cb 1.17 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 3fn3 h PRO 24 CO 0.60 0.00 0.30 -1.59 -0.21 0.00 0.00 178.00 177.09 3fn3 s LYS 25 N -4.63 0.73 0.13 1.05 -2.85 -1.26 -5.05 119.74 107.86 3fn3 s LYS 25 Ca -0.05 0.66 -0.21 0.00 -1.00 0.00 0.00 55.97 55.38 3fn3 s LYS 25 Cb 0.15 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 3fn3 s LYS 25 CO 0.55 -0.13 1.68 -0.44 0.10 0.00 0.00 175.35 177.11 3fn3 h ASP 26 N 4.18 -0.38 -3.33 0.03 3.32 -1.89 -3.45 116.42 114.90 3fn3 h ASP 26 Ca -0.27 0.08 -0.67 0.00 0.02 0.00 0.00 57.03 56.19 3fn3 h ASP 26 Cb 1.16 0.20 -0.32 0.00 0.22 0.00 0.00 39.33 40.60 3fn3 h ASP 26 CO 0.15 -0.15 -0.85 -0.22 -1.72 0.00 0.00 179.24 176.44 3fn3 s LEU 27 N -10.43 2.24 -0.12 1.55 2.96 -1.25 0.20 118.68 113.82 3fn3 s LEU 27 Ca -0.14 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 3fn3 s LEU 27 Cb 0.11 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3fn3 s LEU 27 CO 0.68 0.16 -0.18 -0.31 -1.32 0.00 0.00 176.35 175.38 3fn3 s TYR 28 N 0.35 2.30 -0.27 5.38 1.51 -0.75 -4.99 117.35 120.88 3fn3 s TYR 28 Ca -0.17 -1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.59 3fn3 s TYR 28 Cb -0.17 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3fn3 s TYR 28 CO 0.08 -0.55 0.46 0.08 -1.11 0.00 0.00 175.55 174.51 3fn3 s VAL 29 N 0.93 5.10 0.30 0.71 1.01 -1.26 -0.47 120.40 126.74 3fn3 s VAL 29 Ca -0.06 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.71 3fn3 s VAL 29 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3fn3 s VAL 29 CO -0.02 0.08 0.05 -0.69 0.00 0.00 0.00 175.10 174.52 3fn3 s VAL 30 N 2.23 3.18 -0.24 2.92 1.01 0.32 -4.91 120.40 124.90 3fn3 s VAL 30 Ca 0.19 -1.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 3fn3 s VAL 30 Cb -0.16 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3fn3 s VAL 30 CO 0.10 -0.28 0.14 -0.70 0.00 0.00 0.00 175.10 174.36 3fn3 s GLU 31 N -3.74 3.98 0.44 2.72 -6.30 -1.26 0.13 118.70 114.68 3fn3 s GLU 31 Ca 0.34 -0.32 -0.22 0.00 -2.50 0.00 0.00 54.97 52.27 3fn3 s GLU 31 Cb -0.04 -3.49 -0.11 0.00 0.00 0.00 0.00 34.13 30.49 3fn3 s GLU 31 CO 0.21 0.01 0.73 0.98 0.02 0.00 0.00 175.26 177.21 3fn3 n TYR 32 N 4.41 0.14 -0.74 5.30 9.36 0.47 -1.02 117.16 135.08 3fn3 n TYR 32 Ca -0.15 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.63 3fn3 n TYR 32 Cb 0.52 -2.08 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 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 1.55 0.00 0.85 2.98 0.00 0.83 -4.85 105.19 106.55 3fn3 n GLY 33 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3fn3 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fn3 n SER 34 N -0.29 0.32 -4.67 1.61 2.88 -0.19 -4.37 113.62 108.91 3fn3 n SER 34 Ca 0.00 -1.26 -0.34 0.00 -1.33 0.00 0.00 58.87 55.94 3fn3 n SER 34 Cb 0.32 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 3fn3 n SER 34 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3fn3 s ASN 35 N -1.88 5.12 -0.11 -3.46 0.01 -1.26 0.89 114.94 114.25 3fn3 s ASN 35 Ca 0.14 0.07 -0.01 0.00 -0.71 0.00 0.00 52.86 52.36 3fn3 s ASN 35 Cb -0.01 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 3fn3 s ASN 35 CO 0.09 0.35 -0.07 -0.32 -1.51 0.00 0.00 177.10 175.64 3fn3 s MET 36 N -1.09 3.20 -0.27 -0.60 1.75 0.39 -4.92 119.30 117.75 3fn3 s MET 36 Ca 0.15 -0.57 -0.01 0.00 -1.25 0.00 0.00 55.69 54.01 3fn3 s MET 36 Cb -0.11 -2.70 0.09 0.00 2.84 0.00 0.00 34.83 34.94 3fn3 s MET 36 CO 0.05 0.42 0.07 0.99 -0.65 0.00 0.00 175.02 175.90 3fn3 s THR 37 N -0.16 0.85 0.04 10.11 2.01 -1.26 0.10 115.64 127.33 3fn3 s THR 37 Ca 0.02 -1.17 0.03 0.00 0.31 0.00 0.00 61.69 60.88 3fn3 s THR 37 Cb -0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3fn3 s THR 37 CO 0.03 -0.50 -0.00 0.27 -0.69 0.00 0.00 174.62 173.72 3fn3 s ILE 38 N 1.66 4.06 -0.07 1.82 -4.36 -0.50 -4.94 121.20 118.87 3fn3 s ILE 38 Ca 0.06 -0.79 0.05 0.00 -0.26 0.00 0.00 60.65 59.70 3fn3 s ILE 38 Cb -0.17 -2.87 -0.00 0.00 1.25 0.00 0.00 42.46 40.66 3fn3 s ILE 38 CO -0.19 0.26 -0.23 -1.61 0.24 0.00 0.00 174.94 173.40 3fn3 s GLU 39 N -1.90 2.58 -0.12 0.37 2.02 -1.26 -0.19 118.70 120.21 3fn3 s GLU 39 Ca 0.22 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3fn3 s GLU 39 Cb -0.12 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 3fn3 s GLU 39 CO 0.14 0.28 -0.17 0.00 0.02 0.00 0.00 175.26 175.53 3fn3 s LYS 41 N 0.31 2.39 -0.01 0.00 1.02 0.20 0.36 119.74 124.01 3fn3 s LYS 41 Ca -0.13 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 54.77 3fn3 s LYS 41 Cb -0.16 -2.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3fn3 s LYS 41 CO 0.07 0.56 0.54 -0.59 -0.92 0.00 0.00 175.35 175.00 3fn3 s PHE 42 N -1.12 -0.46 0.03 3.18 -0.12 -0.46 0.13 117.98 119.16 3fn3 s PHE 42 Ca 0.20 0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 57.47 3fn3 s PHE 42 Cb -0.11 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.51 3fn3 s PHE 42 CO 0.11 -0.57 1.78 -2.14 -0.05 0.00 0.00 175.22 174.35 3fn3 s PRO 43 N -1.64 4.17 -0.33 1.99 0.02 -1.26 -4.41 135.00 133.53 3fn3 s PRO 43 Ca -0.10 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.37 3fn3 s PRO 43 Cb -0.01 -3.88 0.09 0.00 0.02 0.00 0.00 34.50 30.72 3fn3 s PRO 43 CO 0.05 -0.85 0.04 0.08 -0.33 0.00 0.00 177.00 175.99 3fn3 s VAL 44 N 3.59 2.39 -0.15 3.83 1.01 -1.26 -4.97 120.40 124.83 3fn3 s VAL 44 Ca 0.79 -2.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 3fn3 s VAL 44 Cb -0.40 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3fn3 s VAL 44 CO 0.35 -0.51 1.21 -1.61 0.00 0.00 0.00 175.10 174.54 3fn3 s GLU 45 N 0.96 4.26 0.00 2.72 0.41 -1.26 -4.67 118.70 121.12 3fn3 s GLU 45 Ca 0.07 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.25 3fn3 s GLU 45 Cb -0.20 -3.70 0.00 0.00 -1.78 0.00 0.00 34.13 28.45 3fn3 s GLU 45 CO -0.07 -0.64 0.00 1.17 -0.49 0.00 0.00 175.26 175.23 3fn3 n LYS 46 N 6.26 0.00 -4.33 1.61 4.81 -1.26 -4.57 118.16 120.68 3fn3 n LYS 46 Ca 0.13 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.29 3fn3 n LYS 46 Cb 0.45 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.40 3fn3 n LYS 46 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3fn3 s GLN 47 N 0.00 1.84 -0.20 1.64 1.11 -1.26 -5.12 119.66 117.67 3fn3 s GLN 47 Ca 0.00 -1.31 -0.14 0.00 0.01 0.00 0.00 55.36 53.92 3fn3 s GLN 47 Cb 0.00 -2.07 -0.04 0.00 -1.01 0.00 0.00 33.01 29.89 3fn3 s GLN 47 CO 0.00 0.44 0.32 -1.17 0.01 0.00 0.00 175.29 174.89 3fn3 s LEU 48 N -2.59 4.17 -0.03 2.90 2.96 -1.26 -4.99 118.68 119.83 3fn3 s LEU 48 Ca 0.22 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 3fn3 s LEU 48 Cb -0.09 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 3fn3 s LEU 48 CO 0.12 -0.01 -0.20 -0.62 -1.32 0.00 0.00 176.35 174.33 3fn3 s ASP 49 N 0.92 2.39 0.08 3.68 3.68 -1.26 -5.06 116.67 121.10 3fn3 s ASP 49 Ca 0.16 -0.38 0.05 0.00 2.13 0.00 0.00 52.55 54.50 3fn3 s ASP 49 Cb -0.14 -0.48 -0.23 0.00 -1.45 0.00 0.00 42.92 40.62 3fn3 s ASP 49 CO 0.06 0.21 1.13 -0.07 0.13 0.00 0.00 175.17 176.64 3fn3 h LEU 50 N 5.94 0.12 -0.82 -1.34 3.38 -1.97 -3.23 115.31 117.38 3fn3 h LEU 50 Ca -0.35 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 57.67 3fn3 h LEU 50 Cb 1.16 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 3fn3 h LEU 50 CO 0.48 1.11 0.29 0.00 0.09 0.00 0.00 178.44 180.41 3fn3 h ALA 51 N 0.87 1.21 0.00 1.53 0.00 -1.97 0.15 119.26 121.04 3fn3 h ALA 51 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fn3 h ALA 51 Cb 1.86 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 3fn3 h ALA 51 CO 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 3fn3 h ALA 52 N 1.66 1.19 -2.96 0.00 0.00 -1.93 -3.41 119.26 113.82 3fn3 h ALA 52 Ca 0.49 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.72 3fn3 h ALA 52 Cb 0.88 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3fn3 h ALA 52 CO -0.52 0.14 -0.19 -1.17 0.00 0.00 0.00 179.25 177.50 3fn3 s LEU 53 N -7.00 4.28 -0.27 0.00 2.96 0.04 -4.48 118.68 114.21 3fn3 s LEU 53 Ca -0.02 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3fn3 s LEU 53 Cb 0.12 -2.60 0.04 0.00 0.50 0.00 0.00 46.19 44.25 3fn3 s LEU 53 CO 0.57 0.05 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.98 3fn3 s ILE 54 N 0.49 2.93 -0.13 6.68 -1.09 -0.87 -4.00 121.20 125.20 3fn3 s ILE 54 Ca 0.23 -1.20 -0.02 0.00 -2.23 0.00 0.00 60.65 57.43 3fn3 s ILE 54 Cb -0.15 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3fn3 s ILE 54 CO 0.09 0.05 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.10 3fn3 s VAL 55 N 1.29 3.76 -0.16 2.92 1.01 0.01 0.13 120.40 129.36 3fn3 s VAL 55 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3fn3 s VAL 55 Cb -0.18 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.66 3fn3 s VAL 55 CO -0.03 0.52 0.26 -0.47 0.00 0.00 0.00 175.10 175.38 3fn3 s TYR 56 N 0.10 -0.41 0.14 5.22 5.04 0.73 0.38 117.35 128.55 3fn3 s TYR 56 Ca -0.02 0.69 0.07 0.00 -2.44 0.00 0.00 57.07 55.37 3fn3 s TYR 56 Cb -0.14 -0.15 -0.04 0.00 0.35 0.00 0.00 41.96 41.98 3fn3 s TYR 56 CO 0.03 -0.48 -0.02 -1.58 -1.34 0.00 0.00 175.55 172.16 3fn3 s TRP 57 N 2.40 2.86 -0.28 4.97 0.52 0.68 -0.01 118.94 130.07 3fn3 s TRP 57 Ca 0.04 -0.11 -0.23 0.00 0.02 0.00 0.00 56.10 55.82 3fn3 s TRP 57 Cb -0.14 -1.43 0.12 0.00 -1.15 0.00 0.00 33.47 30.88 3fn3 s TRP 57 CO -0.10 0.49 0.99 -2.00 0.02 0.00 0.00 176.95 176.35 3fn3 s GLU 58 N -2.64 0.51 0.01 4.98 2.12 -0.69 -1.82 118.70 121.16 3fn3 s GLU 58 Ca 0.26 0.66 0.04 0.00 0.36 0.00 0.00 54.97 56.29 3fn3 s GLU 58 Cb -0.10 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 3fn3 s GLU 58 CO 0.18 -0.07 -0.13 1.41 -0.54 0.00 0.00 175.26 176.11 3fn3 s MET 59 N 0.49 0.97 -0.55 4.30 -2.45 -1.06 -0.18 119.30 120.82 3fn3 s MET 59 Ca 0.00 -0.54 -0.11 0.00 -1.25 0.00 0.00 55.69 53.79 3fn3 s MET 59 Cb -0.05 -0.94 0.02 0.00 1.25 0.00 0.00 34.83 35.10 3fn3 s MET 59 CO -0.08 0.25 0.21 0.39 1.05 0.00 0.00 175.02 176.85 3fn3 n GLU 60 N 2.49 -0.77 -0.08 4.11 1.02 -1.24 -0.53 120.64 125.64 3fn3 n GLU 60 Ca -0.15 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 3fn3 n GLU 60 Cb 0.55 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.53 0.00 -4.70 1.62 8.00 -1.26 -4.96 116.55 114.72 3fn3 n ASP 61 Ca -0.07 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 3fn3 n ASP 61 Cb 0.25 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 3fn3 n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fn3 s LYS 62 N -0.08 4.43 -0.13 -1.24 1.02 0.31 -5.02 119.74 119.02 3fn3 s LYS 62 Ca 0.00 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 3fn3 s LYS 62 Cb 0.00 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3fn3 s LYS 62 CO 0.00 -0.09 1.62 1.21 -0.92 0.00 0.00 175.35 177.17 3fn3 s ASN 63 N 0.97 6.55 -0.12 2.83 3.84 -1.26 -2.55 114.94 125.20 3fn3 s ASN 63 Ca 0.42 1.94 -0.15 0.00 0.21 0.00 0.00 52.86 55.27 3fn3 s ASN 63 Cb -0.18 -2.53 -0.26 0.00 -0.55 0.00 0.00 41.25 37.73 3fn3 s ASN 63 CO 0.19 -1.07 0.49 0.40 -2.79 0.00 0.00 177.10 174.32 3fn3 h ILE 64 N 5.83 0.97 -2.63 -5.21 2.04 -1.71 -1.63 117.51 115.17 3fn3 h ILE 64 Ca -0.36 -2.36 -0.11 0.00 1.00 0.00 0.00 64.86 63.03 3fn3 h ILE 64 Cb 1.16 2.63 -0.24 0.00 -0.74 0.00 0.00 36.82 39.63 3fn3 h ILE 64 CO 0.97 0.68 -0.20 -0.63 0.00 0.00 0.00 178.15 178.97 3fn3 s ILE 65 N -2.47 -0.00 -0.29 -0.67 -1.09 -1.04 -4.82 121.20 110.81 3fn3 s ILE 65 Ca -0.21 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 3fn3 s ILE 65 Cb 0.05 -0.64 0.09 0.00 -1.58 0.00 0.00 42.46 40.38 3fn3 s ILE 65 CO 0.74 0.01 0.09 -1.58 -1.23 0.00 0.00 174.94 172.97 3fn3 s GLN 66 N 0.48 0.70 -0.37 2.79 0.74 -1.26 -0.23 119.66 122.51 3fn3 s GLN 66 Ca -0.02 -0.97 -0.16 0.00 0.05 0.00 0.00 55.36 54.26 3fn3 s GLN 66 Cb -0.04 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.10 3fn3 s GLN 66 CO -0.02 -0.94 0.41 0.12 -0.55 0.00 0.00 175.29 174.31 3fn3 s PHE 67 N 1.67 3.19 -0.05 1.67 5.36 1.23 -1.57 117.98 129.49 3fn3 s PHE 67 Ca 0.08 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.93 3fn3 s PHE 67 Cb -0.17 -2.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.75 3fn3 s PHE 67 CO -0.24 -0.54 0.10 0.08 -1.46 0.00 0.00 175.22 173.16 3fn3 s VAL 68 N 2.13 -0.05 -1.47 3.12 1.01 -0.76 -0.81 120.40 123.57 3fn3 s VAL 68 Ca 0.13 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3fn3 s VAL 68 Cb -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3fn3 s VAL 68 CO 0.13 0.07 0.43 1.41 0.00 0.00 0.00 175.10 177.13 3fn3 n HIS 69 N 4.05 -1.62 -1.45 5.22 8.25 -1.26 -2.00 115.22 126.41 3fn3 n HIS 69 Ca -0.25 0.74 -0.16 0.00 -0.26 0.00 0.00 57.72 57.79 3fn3 n HIS 69 Cb 0.52 -3.52 -0.07 0.00 1.12 0.00 0.00 29.99 28.04 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 -1.97 1.54 3.48 -1.41 0.00 -1.26 -4.91 105.19 100.67 3fn3 n GLY 70 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.34 1.77 -0.11 1.61 2.02 -0.85 -5.15 118.70 114.65 3fn3 s GLU 71 Ca 0.00 -2.03 0.03 0.00 0.02 0.00 0.00 54.97 52.99 3fn3 s GLU 71 Cb 0.00 -0.78 -0.00 0.00 0.10 0.00 0.00 34.13 33.44 3fn3 s GLU 71 CO 0.00 -0.30 -0.21 -1.21 0.02 0.00 0.00 175.26 173.56 3fn3 s GLU 72 N -3.83 3.14 -0.66 1.61 8.01 -1.26 -1.83 118.70 123.88 3fn3 s GLU 72 Ca 0.31 -0.83 -0.23 0.00 0.01 0.00 0.00 54.97 54.23 3fn3 s GLU 72 Cb 0.06 -2.40 0.07 0.00 -4.31 0.00 0.00 34.13 27.55 3fn3 s GLU 72 CO 0.14 0.18 0.98 0.34 0.01 0.00 0.00 175.26 176.91 3fn3 s ASP 73 N 0.37 6.18 0.12 -0.19 3.68 -0.61 -4.86 116.67 121.36 3fn3 s ASP 73 Ca -0.16 -0.93 -0.01 0.00 2.13 0.00 0.00 52.55 53.58 3fn3 s ASP 73 Cb -0.17 -2.43 -0.14 0.00 -1.45 0.00 0.00 42.92 38.73 3fn3 s ASP 73 CO 0.08 -1.46 1.27 -0.07 0.13 0.00 0.00 175.17 175.12 3fn3 h LEU 74 N 11.43 0.34 -2.22 -1.34 -0.00 -1.97 -3.23 115.31 118.32 3fn3 h LEU 74 Ca -0.29 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 3fn3 h LEU 74 Cb 1.07 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.62 3fn3 h LEU 74 CO 1.18 1.17 0.26 0.50 -0.00 0.00 0.00 178.44 181.55 3fn3 h LYS 75 N 0.11 0.00 0.00 1.13 3.64 -2.01 -0.15 116.57 119.29 3fn3 h LYS 75 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3fn3 h LYS 75 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 3fn3 h LYS 75 CO 0.16 0.00 -0.96 0.28 -2.27 0.00 0.00 179.45 176.66 3fn3 n VAL 76 N -2.93 0.00 -1.71 2.00 0.31 -1.22 -4.93 118.33 109.84 3fn3 n VAL 76 Ca -0.02 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 3fn3 n VAL 76 Cb 0.31 0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 33.98 3fn3 n VAL 76 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3fn3 s GLN 77 N -2.56 3.79 0.06 5.55 0.74 -0.07 -4.63 119.66 122.54 3fn3 s GLN 77 Ca 0.02 2.31 -0.34 0.00 0.05 0.00 0.00 55.36 57.41 3fn3 s GLN 77 Cb 0.11 -4.21 -0.18 0.00 1.10 0.00 0.00 33.01 29.83 3fn3 s GLN 77 CO 0.61 -1.35 0.84 1.58 -0.55 0.00 0.00 175.29 176.42 3fn3 n HIS 78 N 8.91 0.25 -0.30 1.67 -0.00 -0.61 -4.80 115.22 120.34 3fn3 n HIS 78 Ca 0.23 0.97 0.02 0.00 -0.00 0.00 0.00 57.72 58.94 3fn3 n HIS 78 Cb 0.43 -1.93 0.09 0.00 -0.00 0.00 0.00 29.99 28.58 3fn3 n HIS 78 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3fn3 h SER 79 N 2.20 -0.89 0.00 0.26 4.64 -1.91 -1.39 113.55 116.46 3fn3 h SER 79 Ca -0.41 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3fn3 h SER 79 Cb 1.35 0.56 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3fn3 h SER 79 CO 0.59 -0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 174.73 3fn3 n SER 80 N -5.53 0.00 -0.67 4.97 3.41 -1.26 -0.87 113.62 113.66 3fn3 n SER 80 Ca 0.12 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 3fn3 n SER 80 Cb 0.42 -0.25 0.13 0.00 -0.26 0.00 0.00 64.21 64.24 3fn3 n SER 80 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fn3 n TYR 81 N -1.25 0.30 -1.58 7.33 4.02 -0.52 -4.93 117.16 120.52 3fn3 n TYR 81 Ca 0.00 -0.26 -0.49 0.00 -0.01 0.00 0.00 57.90 57.14 3fn3 n TYR 81 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 3fn3 n TYR 81 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3fn3 n ARG 82 N 0.76 1.63 -0.85 -0.72 0.63 -0.05 -1.49 116.66 116.57 3fn3 n ARG 82 Ca 0.11 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 3fn3 n ARG 82 Cb 0.41 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.70 3fn3 n ARG 82 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3fn3 n GLN 83 N 7.44 -1.34 0.01 -0.14 7.27 -1.26 -4.73 117.38 124.64 3fn3 n GLN 83 Ca 0.31 0.34 0.11 0.00 0.07 0.00 0.00 57.00 57.83 3fn3 n GLN 83 Cb 0.28 -4.80 -0.13 0.00 2.41 0.00 0.00 30.24 27.99 3fn3 n GLN 83 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3fn3 n ARG 84 N -0.00 0.65 -5.07 3.69 1.85 -0.56 -4.92 116.66 112.30 3fn3 n ARG 84 Ca 0.00 -0.13 -0.32 0.00 -1.00 0.00 0.00 57.85 56.40 3fn3 n ARG 84 Cb 0.34 -1.59 -0.16 0.00 -1.05 0.00 0.00 32.46 30.00 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 -3.48 2.33 0.15 2.89 0.00 -1.03 -0.87 121.76 121.75 3fn3 s ALA 85 Ca -0.06 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3fn3 s ALA 85 Cb 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3fn3 s ALA 85 CO 0.88 0.28 -0.08 1.03 0.00 0.00 0.00 175.76 177.87 3fn3 s ARG 86 N 0.34 1.04 -0.09 0.00 0.52 -0.67 -4.99 118.95 115.11 3fn3 s ARG 86 Ca -0.16 -1.45 0.01 0.00 -0.52 0.00 0.00 55.73 53.61 3fn3 s ARG 86 Cb -0.17 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 3fn3 s ARG 86 CO 0.08 0.04 -0.12 -1.17 0.02 0.00 0.00 175.30 174.14 3fn3 s LEU 87 N -3.16 2.81 1.18 2.53 2.96 -1.26 -1.34 118.68 122.40 3fn3 s LEU 87 Ca 0.17 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 3fn3 s LEU 87 Cb 0.03 -1.60 0.27 0.00 0.50 0.00 0.00 46.19 45.39 3fn3 s LEU 87 CO 0.00 0.27 0.85 0.00 -1.32 0.00 0.00 176.35 176.15 3fn3 n LEU 88 N 2.85 -1.82 0.00 -0.68 -0.00 -1.04 -4.97 117.00 111.34 3fn3 n LEU 88 Ca -0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.65 3fn3 n LEU 88 Cb 0.52 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 3fn3 n LEU 88 CO 0.28 -3.32 -0.34 0.29 -0.00 0.00 0.00 177.39 174.31 3fn3 n LYS 89 N -4.56 2.54 0.24 1.47 5.02 -1.26 -4.77 118.16 116.84 3fn3 n LYS 89 Ca 0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 3fn3 n LYS 89 Cb 0.55 -0.84 -0.08 0.00 -0.02 0.00 0.00 35.03 34.65 3fn3 n LYS 89 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3fn3 h ASP 90 N 0.00 -0.53 1.12 4.39 -0.00 -1.96 -3.34 116.42 116.10 3fn3 h ASP 90 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3fn3 h ASP 90 Cb 0.53 0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.00 3fn3 h ASP 90 CO 0.00 -0.17 0.00 1.56 -0.00 0.00 0.00 179.24 180.63 3fn3 h GLN 91 N -0.94 0.00 -0.63 4.15 4.20 -1.88 -0.03 115.11 119.98 3fn3 h GLN 91 Ca -0.06 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.75 3fn3 h GLN 91 Cb 0.58 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.25 3fn3 h GLN 91 CO 0.10 0.00 -0.36 -0.07 -0.67 0.00 0.00 178.83 177.84 3fn3 h LEU 92 N 0.00 -1.25 -1.64 1.46 -0.00 -1.39 0.39 115.31 112.89 3fn3 h LEU 92 Ca 0.00 0.24 0.03 0.00 -0.00 0.00 0.00 57.88 58.15 3fn3 h LEU 92 Cb 0.56 0.61 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3fn3 h LEU 92 CO 0.00 -0.31 0.50 0.28 -0.00 0.00 0.00 178.44 178.91 3fn3 h SER 93 N -0.16 0.00 -0.22 -0.43 0.02 -1.13 0.49 113.55 112.13 3fn3 h SER 93 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3fn3 h SER 93 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3fn3 h SER 93 CO -0.71 0.00 -0.01 0.18 -1.14 0.00 0.00 176.83 175.14 3fn3 n LEU 94 N -2.98 3.59 -1.50 5.07 4.77 -0.84 -4.75 117.00 120.36 3fn3 n LEU 94 Ca 0.01 -3.14 -0.11 0.00 -0.03 0.00 0.00 56.01 52.74 3fn3 n LEU 94 Cb 0.57 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3fn3 n LEU 94 CO 0.14 0.76 -0.04 0.61 -1.33 0.00 0.00 177.39 177.54 3fn3 n GLY 95 N -0.79 0.04 2.82 -0.72 0.00 0.17 -4.88 105.19 101.84 3fn3 n GLY 95 Ca 0.22 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.77 3.26 -0.40 1.61 3.04 0.13 -1.35 114.94 118.47 3fn3 s ASN 96 Ca 0.11 -0.95 -0.22 0.00 0.04 0.00 0.00 52.86 51.84 3fn3 s ASN 96 Cb -0.05 -0.84 0.02 0.00 -1.54 0.00 0.00 41.25 38.84 3fn3 s ASN 96 CO 0.13 -0.27 0.73 0.00 -3.04 0.00 0.00 177.10 174.65 3fn3 s ALA 97 N 1.67 3.37 -0.22 1.71 0.00 1.11 -1.51 121.76 127.89 3fn3 s ALA 97 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.05 3fn3 s ALA 97 Cb -0.18 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.64 3fn3 s ALA 97 CO -0.07 -1.65 -0.12 0.00 0.00 0.00 0.00 175.76 173.92 3fn3 s ALA 98 N 3.04 2.28 -0.21 0.00 0.00 -1.26 0.58 121.76 126.20 3fn3 s ALA 98 Ca 0.28 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 3fn3 s ALA 98 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 3fn3 s ALA 98 CO 0.19 -0.89 0.41 -1.17 0.00 0.00 0.00 175.76 174.30 3fn3 s LEU 99 N 1.26 4.15 -0.15 0.00 2.96 0.74 -2.50 118.68 125.14 3fn3 s LEU 99 Ca -0.03 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3fn3 s LEU 99 Cb -0.17 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3fn3 s LEU 99 CO -0.08 -0.10 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.12 3fn3 s GLN 100 N 1.41 3.26 -0.15 1.98 0.74 -0.45 -1.41 119.66 125.03 3fn3 s GLN 100 Ca 0.19 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.88 3fn3 s GLN 100 Cb -0.15 -2.62 0.02 0.00 1.10 0.00 0.00 33.01 31.36 3fn3 s GLN 100 CO 0.08 0.07 -0.18 0.42 -0.55 0.00 0.00 175.29 175.13 3fn3 s ILE 101 N 0.68 1.85 0.24 -2.34 1.01 0.28 -1.68 121.20 121.25 3fn3 s ILE 101 Ca -0.07 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 3fn3 s ILE 101 Cb -0.16 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 3fn3 s ILE 101 CO 0.02 0.51 0.63 0.42 0.00 0.00 0.00 174.94 176.51 3fn3 s THR 102 N 1.15 4.79 -0.47 2.92 -4.23 -0.05 0.15 115.64 119.91 3fn3 s THR 102 Ca -0.00 0.80 -0.26 0.00 -1.18 0.00 0.00 61.69 61.05 3fn3 s THR 102 Cb -0.14 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3fn3 s THR 102 CO -0.07 0.01 0.64 -0.67 -0.54 0.00 0.00 174.62 173.98 3fn3 n ASP 103 N 0.13 -6.65 -4.72 3.99 2.03 -0.42 -4.86 116.55 106.04 3fn3 n ASP 103 Ca -0.00 0.12 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 3fn3 n ASP 103 Cb 0.52 -3.44 -0.03 0.00 -0.72 0.00 0.00 41.12 37.45 3fn3 n ASP 103 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3fn3 s VAL 104 N -2.08 3.56 0.44 5.18 1.01 0.26 -4.79 120.40 123.97 3fn3 s VAL 104 Ca 0.30 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.53 3fn3 s VAL 104 Cb -0.05 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.59 3fn3 s VAL 104 CO 0.83 0.12 0.53 -0.54 0.00 0.00 0.00 175.10 176.03 3fn3 s LYS 105 N 0.66 2.66 0.18 2.72 -0.14 -1.26 -0.12 119.74 124.45 3fn3 s LYS 105 Ca 0.59 -1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 53.73 3fn3 s LYS 105 Cb -0.34 -2.60 0.09 0.00 -1.68 0.00 0.00 37.83 33.29 3fn3 s LYS 105 CO 0.32 -0.32 1.59 1.25 -0.76 0.00 0.00 175.35 177.43 3fn3 h LEU 106 N 0.72 0.93 -0.97 3.17 5.85 -1.96 -2.60 115.31 120.45 3fn3 h LEU 106 Ca -0.39 -0.34 0.18 0.00 0.84 0.00 0.00 57.88 58.17 3fn3 h LEU 106 Cb 1.28 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 3fn3 h LEU 106 CO 0.49 1.10 0.57 1.56 -0.34 0.00 0.00 178.44 181.83 3fn3 h GLN 107 N 0.80 0.72 0.00 1.25 7.50 -2.00 -2.25 115.11 121.12 3fn3 h GLN 107 Ca 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.22 3fn3 h GLN 107 Cb 0.75 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.12 3fn3 h GLN 107 CO 0.06 0.47 0.22 -0.25 -1.50 0.00 0.00 178.83 177.83 3fn3 n ASP 108 N -4.79 0.02 -4.79 1.46 8.00 -0.98 -4.61 116.55 110.86 3fn3 n ASP 108 Ca 0.22 0.30 -0.33 0.00 0.71 0.00 0.00 54.79 55.69 3fn3 n ASP 108 Cb 0.54 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3fn3 n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fn3 s ALA 109 N -2.62 2.74 0.00 2.24 0.00 -0.85 -4.90 121.76 118.37 3fn3 s ALA 109 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3fn3 s ALA 109 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3fn3 s ALA 109 CO 0.01 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3fn3 n GLY 110 N -0.52 0.70 3.42 0.00 0.00 0.14 -4.99 105.19 103.94 3fn3 n GLY 110 Ca 0.10 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.28 3.64 -0.18 1.61 1.01 -1.26 0.31 120.40 124.25 3fn3 s VAL 111 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3fn3 s VAL 111 Cb 0.00 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3fn3 s VAL 111 CO 0.00 0.47 -0.08 -0.31 0.00 0.00 0.00 175.10 175.17 3fn3 s TYR 112 N 0.77 2.90 -0.14 5.22 1.51 0.02 -3.63 117.35 124.01 3fn3 s TYR 112 Ca -0.02 -0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 55.03 3fn3 s TYR 112 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 3fn3 s TYR 112 CO 0.02 -0.42 0.38 0.50 -1.11 0.00 0.00 175.55 174.92 3fn3 s ARG 113 N 1.03 4.29 -0.02 -0.62 3.52 0.74 -1.68 118.95 126.22 3fn3 s ARG 113 Ca -0.00 0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3fn3 s ARG 113 Cb -0.15 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3fn3 s ARG 113 CO -0.01 0.21 0.07 0.00 -0.81 0.00 0.00 175.30 174.76 3fn3 s MET 115 N -1.59 0.70 -0.04 0.00 1.75 0.99 -2.91 119.30 118.20 3fn3 s MET 115 Ca 0.21 -0.18 0.06 0.00 -1.25 0.00 0.00 55.69 54.53 3fn3 s MET 115 Cb -0.12 -1.58 -0.02 0.00 2.84 0.00 0.00 34.83 35.95 3fn3 s MET 115 CO 0.12 -0.46 -0.21 0.42 -0.65 0.00 0.00 175.02 174.24 3fn3 s ILE 116 N 1.90 2.51 -0.35 10.11 1.01 -1.11 -0.19 121.20 135.07 3fn3 s ILE 116 Ca 0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3fn3 s ILE 116 Cb -0.15 -1.93 0.13 0.00 0.01 0.00 0.00 42.46 40.52 3fn3 s ILE 116 CO -0.07 0.58 0.19 -0.55 0.00 0.00 0.00 174.94 175.10 3fn3 s SER 117 N -0.62 3.23 -0.39 3.58 0.15 0.12 -2.33 113.70 117.43 3fn3 s SER 117 Ca 0.10 -2.06 0.03 0.00 0.70 0.00 0.00 55.95 54.72 3fn3 s SER 117 Cb -0.11 -0.51 0.11 0.00 -1.71 0.00 0.00 66.02 63.81 3fn3 s SER 117 CO -0.00 -0.33 0.12 -0.47 1.20 0.00 0.00 173.24 173.76 3fn3 s TYR 118 N 1.18 3.20 -1.26 3.44 5.04 -1.26 -2.06 117.35 125.64 3fn3 s TYR 118 Ca 0.16 -2.84 -0.28 0.00 -2.44 0.00 0.00 57.07 51.68 3fn3 s TYR 118 Cb -0.22 -2.66 0.04 0.00 0.35 0.00 0.00 41.96 39.47 3fn3 s TYR 118 CO -0.07 -0.87 0.52 0.41 -1.34 0.00 0.00 175.55 174.20 3fn3 n GLY 119 N 3.98 -0.66 0.00 8.97 0.00 -1.26 -4.79 105.19 111.43 3fn3 n GLY 119 Ca 0.04 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.19 3.39 3.75 -0.02 0.00 -1.26 -4.99 105.19 103.87 3fn3 n GLY 120 Ca -0.15 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.55 0.26 4.61 0.00 -1.26 -4.36 121.76 124.55 3fn3 s ALA 121 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3fn3 s ALA 121 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 3fn3 s ALA 121 CO 0.00 0.13 0.23 0.34 0.00 0.00 0.00 175.76 176.45 3fn3 s ASP 122 N 0.20 0.72 0.06 0.00 3.68 -0.99 -4.93 116.67 115.41 3fn3 s ASP 122 Ca 0.24 -1.50 -0.11 0.00 2.13 0.00 0.00 52.55 53.31 3fn3 s ASP 122 Cb -0.15 0.47 0.01 0.00 -1.45 0.00 0.00 42.92 41.80 3fn3 s ASP 122 CO 0.10 -0.97 0.24 -0.72 0.13 0.00 0.00 175.17 173.96 3fn3 s TYR 123 N -3.83 0.01 0.32 -5.34 -0.00 -1.26 -2.74 117.35 104.51 3fn3 s TYR 123 Ca 0.38 -0.28 0.03 0.00 -0.00 0.00 0.00 57.07 57.21 3fn3 s TYR 123 Cb 0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 41.96 41.99 3fn3 s TYR 123 CO 0.18 -0.51 0.16 0.15 -0.00 0.00 0.00 175.55 175.53 3fn3 s LYS 124 N -3.05 1.64 -0.29 -3.49 -0.14 -1.15 -4.85 119.74 108.41 3fn3 s LYS 124 Ca -0.01 -1.94 -0.04 0.00 -1.36 0.00 0.00 55.97 52.62 3fn3 s LYS 124 Cb 0.01 -0.16 0.10 0.00 -1.68 0.00 0.00 37.83 36.11 3fn3 s LYS 124 CO -0.07 -0.45 0.13 1.03 -0.76 0.00 0.00 175.35 175.23 3fn3 s ARG 125 N -3.79 0.26 -0.18 1.68 0.52 -1.26 -2.72 118.95 113.45 3fn3 s ARG 125 Ca 0.35 -0.61 -0.24 0.00 -0.52 0.00 0.00 55.73 54.71 3fn3 s ARG 125 Cb 0.05 -1.25 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 3fn3 s ARG 125 CO 0.18 -1.02 0.77 0.42 0.02 0.00 0.00 175.30 175.67 3fn3 s ILE 126 N 2.02 4.92 0.14 1.52 1.01 -0.67 -4.85 121.20 125.28 3fn3 s ILE 126 Ca 0.09 1.50 -0.18 0.00 0.00 0.00 0.00 60.65 62.06 3fn3 s ILE 126 Cb -0.16 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 3fn3 s ILE 126 CO -0.35 0.05 0.62 0.28 0.00 0.00 0.00 174.94 175.54 3fn3 s THR 127 N 2.07 4.70 -0.19 2.92 -1.32 0.53 -0.80 115.64 123.55 3fn3 s THR 127 Ca 0.35 1.15 -0.03 0.00 -1.21 0.00 0.00 61.69 61.96 3fn3 s THR 127 Cb -0.16 -3.86 0.06 0.00 -1.51 0.00 0.00 72.50 67.03 3fn3 s THR 127 CO 0.12 0.37 0.04 -0.69 -2.21 0.00 0.00 174.62 172.24 3fn3 s VAL 128 N -1.33 0.48 0.08 5.08 1.01 0.15 -1.81 120.40 124.06 3fn3 s VAL 128 Ca 0.36 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3fn3 s VAL 128 Cb -0.18 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3fn3 s VAL 128 CO 0.20 -0.19 0.33 -0.54 0.00 0.00 0.00 175.10 174.90 3fn3 s LYS 129 N 1.88 3.62 -0.14 2.72 -0.14 0.38 -0.68 119.74 127.38 3fn3 s LYS 129 Ca -0.00 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.54 3fn3 s LYS 129 Cb -0.17 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.01 3fn3 s LYS 129 CO -0.08 0.55 -0.14 0.08 -0.76 0.00 0.00 175.35 175.01 3fn3 s VAL 130 N -1.48 2.90 0.09 3.17 1.01 -1.26 0.12 120.40 124.94 3fn3 s VAL 130 Ca 0.35 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3fn3 s VAL 130 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3fn3 s VAL 130 CO 0.21 0.52 -0.11 0.54 0.00 0.00 0.00 175.10 176.26 3fn3 s ASN 131 N 0.53 4.35 -0.61 3.32 6.03 0.36 -4.87 114.94 124.05 3fn3 s ASN 131 Ca -0.09 -0.37 0.01 0.00 -1.03 0.00 0.00 52.86 51.38 3fn3 s ASN 131 Cb -0.16 -0.84 0.15 0.00 -3.03 0.00 0.00 41.25 37.38 3fn3 s ASN 131 CO 0.04 0.20 0.39 0.00 -2.03 0.00 0.00 177.10 175.70 3fn3 s ALA 132 N -1.16 3.53 0.34 3.54 0.00 -1.26 -0.40 121.76 126.36 3fn3 s ALA 132 Ca 0.20 -3.36 -0.26 0.00 0.00 0.00 0.00 51.96 48.54 3fn3 s ALA 132 Cb -0.11 -2.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 3fn3 s ALA 132 CO 0.12 -2.08 1.04 -1.25 0.00 0.00 0.00 175.76 173.60 3fn3 s PRO 133 N -0.36 4.41 -0.58 0.00 0.04 -1.26 -0.80 135.00 136.45 3fn3 s PRO 133 Ca 0.18 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 3fn3 s PRO 133 Cb -0.21 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 3fn3 s PRO 133 CO -0.03 0.07 1.76 0.66 0.04 0.00 0.00 177.00 179.50 3fn3 n TYR 134 N 0.50 0.86 0.61 0.56 4.01 -1.26 -4.50 117.16 117.93 3fn3 n TYR 134 Ca 0.02 -1.43 0.06 0.00 -0.16 0.00 0.00 57.90 56.39 3fn3 n TYR 134 Cb 0.48 -1.30 -0.06 0.00 -0.31 0.00 0.00 39.34 38.16 3fn3 n TYR 134 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3fn3 n ASN 135 N 4.30 0.81 -4.33 7.72 6.94 -1.26 -4.62 115.26 124.83 3fn3 n ASN 135 Ca 0.30 -0.91 -0.46 0.00 -0.02 0.00 0.00 54.58 53.49 3fn3 n ASN 135 Cb 0.11 0.87 -0.02 0.00 -2.36 0.00 0.00 39.78 38.39 3fn3 n ASN 135 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3fn3 s LYS 136 N -2.09 3.76 -0.59 -3.83 3.01 -1.26 -5.05 119.74 113.70 3fn3 s LYS 136 Ca 0.06 -2.71 -0.23 0.00 -1.01 0.00 0.00 55.97 52.08 3fn3 s LYS 136 Cb 0.10 -4.45 0.05 0.00 -1.01 0.00 0.00 37.83 32.52 3fn3 s LYS 136 CO 0.48 -1.27 0.94 0.42 0.51 0.00 0.00 175.35 176.43 3fn3 s ILE 137 N -0.31 4.37 -0.16 2.17 1.01 -1.26 -4.63 121.20 122.40 3fn3 s ILE 137 Ca 0.22 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 3fn3 s ILE 137 Cb -0.10 -4.58 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 3fn3 s ILE 137 CO -0.09 -1.23 1.27 0.20 0.00 0.00 0.00 174.94 175.10 3fn3 s ASN 138 N 3.14 6.94 0.38 3.58 0.01 -0.58 -4.87 114.94 123.55 3fn3 s ASN 138 Ca 0.27 1.71 0.08 0.00 -0.71 0.00 0.00 52.86 54.21 3fn3 s ASN 138 Cb -0.14 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3fn3 s ASN 138 CO 0.16 -0.76 0.19 0.00 -1.51 0.00 0.00 177.10 175.17 3fn3 s GLN 139 N 3.47 2.31 -0.18 -0.60 -2.07 -1.26 -0.53 119.66 120.80 3fn3 s GLN 139 Ca 0.55 -1.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.10 3fn3 s GLN 139 Cb -0.22 -2.10 0.14 0.00 -1.09 0.00 0.00 33.01 29.73 3fn3 s GLN 139 CO 0.15 -0.04 1.07 -0.98 -1.32 0.00 0.00 175.29 174.17 3fn3 s ARG 140 N -3.91 0.49 -0.01 9.60 1.70 -0.51 -4.98 118.95 121.34 3fn3 s ARG 140 Ca 0.41 0.11 0.02 0.00 -0.47 0.00 0.00 55.73 55.80 3fn3 s ARG 140 Cb 0.00 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 3fn3 s ARG 140 CO 0.23 -0.16 -0.07 0.42 -1.08 0.00 0.00 175.30 174.65 3fn3 s ILE 141 N -1.14 0.60 -0.12 4.99 1.01 -1.26 -0.87 121.20 124.41 3fn3 s ILE 141 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3fn3 s ILE 141 Cb -0.01 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 41.97 3fn3 s ILE 141 CO -0.00 0.18 -0.08 -0.22 0.00 0.00 0.00 174.94 174.82 3fn3 s LEU 142 N 0.05 1.28 -0.45 2.97 2.96 -0.07 -4.95 118.68 120.47 3fn3 s LEU 142 Ca -0.00 -0.37 -0.27 0.00 -0.22 0.00 0.00 54.13 53.26 3fn3 s LEU 142 Cb -0.06 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.79 3fn3 s LEU 142 CO -0.00 -0.13 1.02 0.54 -1.32 0.00 0.00 176.35 176.46 3fn3 s VAL 143 N 1.68 4.38 -0.02 1.68 0.11 -1.26 -0.51 120.40 126.45 3fn3 s VAL 143 Ca 0.04 1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 59.90 3fn3 s VAL 143 Cb -0.13 -4.49 -0.26 0.00 -1.53 0.00 0.00 36.38 29.96 3fn3 s VAL 143 CO -0.08 -0.86 1.01 0.58 -3.33 0.00 0.00 175.10 172.42 3fn3 h VAL 144 N 6.10 1.48 -1.43 2.04 2.07 -1.39 -3.44 116.25 121.69 3fn3 h VAL 144 Ca -0.23 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 64.95 3fn3 h VAL 144 Cb 1.07 2.84 -0.25 0.00 -1.52 0.00 0.00 31.29 33.43 3fn3 h VAL 144 CO 1.06 0.63 -0.48 -0.62 0.02 0.00 0.00 177.57 178.19 3fn3 s ASP 145 N -6.76 -0.40 0.01 0.57 -1.08 -1.06 -5.03 116.67 102.93 3fn3 s ASP 145 Ca -0.14 -0.25 0.19 0.00 -0.52 0.00 0.00 52.55 51.83 3fn3 s ASP 145 Cb 0.02 1.46 0.81 0.00 -1.46 0.00 0.00 42.92 43.75 3fn3 s ASP 145 CO 0.81 -0.32 1.61 -0.81 0.52 0.00 0.00 175.17 176.98 3fn3 n PRO 146 N 5.28 0.01 0.08 4.34 -0.04 -1.26 -0.62 135.00 142.79 3fn3 n PRO 146 Ca 0.03 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 3fn3 n PRO 146 Cb 0.51 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3fn3 n PRO 146 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3fn3 h VAL 147 N 0.00 0.81 0.00 0.52 2.07 -1.96 -3.13 116.25 114.55 3fn3 h VAL 147 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3fn3 h VAL 147 Cb 0.33 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3fn3 h VAL 147 CO 0.00 0.19 0.00 0.35 0.02 0.00 0.00 177.57 178.13 3fn3 n THR 148 N -4.97 0.50 -1.06 2.57 -2.24 -0.91 -4.91 114.28 103.26 3fn3 n THR 148 Ca -0.08 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3fn3 n THR 148 Cb 0.26 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 3fn3 n THR 148 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3fn3 n SER 149 N -1.65 -5.51 -4.69 3.42 2.88 0.21 -4.78 113.62 103.50 3fn3 n SER 149 Ca 0.05 0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 57.21 3fn3 n SER 149 Cb 0.28 -3.18 -0.03 0.00 -0.75 0.00 0.00 64.21 60.54 3fn3 n SER 149 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3fn3 s GLU 150 N -1.89 4.35 0.44 -1.46 2.12 -1.09 -2.37 118.70 118.80 3fn3 s GLU 150 Ca 0.00 1.65 0.07 0.00 0.36 0.00 0.00 54.97 57.06 3fn3 s GLU 150 Cb 0.00 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 3fn3 s GLU 150 CO 0.00 -0.44 0.35 -1.01 -0.54 0.00 0.00 175.26 173.62 3fn3 s HIS 151 N 2.22 2.47 -0.24 5.30 3.76 0.23 -1.00 115.29 128.02 3fn3 s HIS 151 Ca 0.55 -0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 54.86 3fn3 s HIS 151 Cb -0.24 -2.08 0.08 0.00 1.11 0.00 0.00 32.58 31.44 3fn3 s HIS 151 CO 0.22 -0.14 0.06 -2.00 -0.85 0.00 0.00 174.74 172.03 3fn3 s GLU 152 N -4.12 0.67 -0.20 1.40 2.12 0.33 -1.65 118.70 117.25 3fn3 s GLU 152 Ca 0.44 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 55.02 3fn3 s GLU 152 Cb -0.02 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 3fn3 s GLU 152 CO 0.26 -0.79 0.12 -0.51 -0.54 0.00 0.00 175.26 173.80 3fn3 s LEU 153 N 1.79 4.09 0.01 2.70 1.43 -0.11 -0.89 118.68 127.69 3fn3 s LEU 153 Ca 0.03 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3fn3 s LEU 153 Cb -0.17 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3fn3 s LEU 153 CO -0.16 0.16 -0.16 -0.89 0.23 0.00 0.00 176.35 175.53 3fn3 s THR 154 N 0.46 1.26 -0.03 5.49 2.01 -0.05 -0.79 115.64 123.99 3fn3 s THR 154 Ca 0.07 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3fn3 s THR 154 Cb -0.12 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3fn3 s THR 154 CO -0.01 0.25 -0.05 0.00 -0.69 0.00 0.00 174.62 174.12 3fn3 s GLN 156 N 0.57 0.56 0.11 0.00 1.03 0.31 -1.35 119.66 120.90 3fn3 s GLN 156 Ca -0.07 -0.69 -0.26 0.00 0.04 0.00 0.00 55.36 54.37 3fn3 s GLN 156 Cb -0.11 -0.39 0.08 0.00 0.03 0.00 0.00 33.01 32.62 3fn3 s GLN 156 CO 0.00 0.08 1.04 0.00 -2.54 0.00 0.00 175.29 173.88 3fn3 s ALA 157 N -1.16 -1.81 -0.03 2.60 0.00 0.12 -1.52 121.76 119.97 3fn3 s ALA 157 Ca -0.07 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3fn3 s ALA 157 Cb -0.09 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3fn3 s ALA 157 CO 0.01 -1.04 -0.08 -1.21 0.00 0.00 0.00 175.76 173.43 3fn3 s GLU 158 N -3.06 0.92 0.00 0.00 2.02 -1.26 -0.42 118.70 116.90 3fn3 s GLU 158 Ca 0.13 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3fn3 s GLU 158 Cb 0.00 -0.87 0.00 0.00 0.10 0.00 0.00 34.13 33.37 3fn3 s GLU 158 CO 0.01 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.77 3fn3 n GLY 159 N 3.43 3.21 2.88 -1.39 0.00 -1.17 -4.48 105.19 107.67 3fn3 n GLY 159 Ca -0.19 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.82 0.11 0.00 1.61 5.04 0.02 -1.53 117.35 119.77 3fn3 s TYR 160 Ca 0.00 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 3fn3 s TYR 160 Cb 0.00 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3fn3 s TYR 160 CO 0.00 -0.01 0.00 -0.35 -1.34 0.00 0.00 175.55 173.85 3fn3 n PRO 161 N 3.17 0.37 -1.58 4.97 -0.04 -1.26 -4.11 135.00 136.51 3fn3 n PRO 161 Ca -0.14 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.81 3fn3 n PRO 161 Cb 0.59 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.95 1.13 -4.32 0.54 5.02 -1.26 -4.95 118.16 113.38 3fn3 n LYS 162 Ca 0.00 0.41 -0.28 0.00 -2.02 0.00 0.00 58.31 56.42 3fn3 n LYS 162 Cb 0.00 -2.00 -0.11 0.00 -0.02 0.00 0.00 35.03 32.90 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 0.28 2.76 0.24 7.82 0.00 -1.26 -4.80 121.76 126.79 3fn3 s ALA 163 Ca 0.81 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3fn3 s ALA 163 Cb -0.93 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3fn3 s ALA 163 CO 0.48 0.53 0.46 -1.83 0.00 0.00 0.00 175.76 175.40 3fn3 s GLU 164 N -2.46 3.55 -0.09 0.00 -1.05 -0.71 -4.92 118.70 113.02 3fn3 s GLU 164 Ca 0.21 -0.23 -0.02 0.00 -0.15 0.00 0.00 54.97 54.78 3fn3 s GLU 164 Cb -0.10 -2.76 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 3fn3 s GLU 164 CO 0.12 0.32 -0.01 0.08 0.95 0.00 0.00 175.26 176.72 3fn3 s VAL 165 N -1.97 4.22 -0.10 1.83 1.01 -1.26 -1.57 120.40 122.55 3fn3 s VAL 165 Ca 0.40 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3fn3 s VAL 165 Cb -0.11 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3fn3 s VAL 165 CO 0.30 0.59 -0.20 -0.63 0.00 0.00 0.00 175.10 175.16 3fn3 s ILE 166 N -0.76 1.80 -0.13 2.22 1.01 -0.45 -4.94 121.20 119.95 3fn3 s ILE 166 Ca 0.12 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3fn3 s ILE 166 Cb -0.11 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3fn3 s ILE 166 CO 0.02 0.50 0.12 0.26 0.00 0.00 0.00 174.94 175.85 3fn3 s TRP 167 N 0.57 3.52 0.02 3.97 0.52 -1.26 -1.31 118.94 124.97 3fn3 s TRP 167 Ca -0.15 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.44 3fn3 s TRP 167 Cb -0.17 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3fn3 s TRP 167 CO 0.05 0.63 -0.04 0.95 0.02 0.00 0.00 176.95 178.56 3fn3 s THR 168 N -0.76 0.22 0.11 2.01 -4.23 -0.61 -0.54 115.64 111.84 3fn3 s THR 168 Ca 0.13 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3fn3 s THR 168 Cb -0.12 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.43 3fn3 s THR 168 CO 0.03 -0.38 0.10 -1.54 -0.54 0.00 0.00 174.62 172.29 3fn3 n SER 169 N 1.81 -1.11 0.08 3.99 3.41 0.59 -1.39 113.62 121.00 3fn3 n SER 169 Ca -0.22 -0.56 0.13 0.00 -0.26 0.00 0.00 58.87 57.97 3fn3 n SER 169 Cb 0.56 -0.09 0.46 0.00 -0.26 0.00 0.00 64.21 64.87 3fn3 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fn3 n SER 170 N -3.17 0.60 -1.81 4.04 3.41 -1.07 -2.39 113.62 113.23 3fn3 n SER 170 Ca 0.01 0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 3fn3 n SER 170 Cb 0.05 -0.69 0.29 0.00 -0.26 0.00 0.00 64.21 63.60 3fn3 n SER 170 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3fn3 n ASP 171 N -2.05 4.49 -0.84 4.04 5.75 -1.26 -4.93 116.55 121.74 3fn3 n ASP 171 Ca 0.06 -3.27 -0.11 0.00 -0.01 0.00 0.00 54.79 51.46 3fn3 n ASP 171 Cb 0.41 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.32 0.00 -2.43 2.11 8.25 -1.01 -4.95 115.22 116.88 3fn3 n HIS 172 Ca 0.39 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.44 3fn3 n HIS 172 Cb 1.32 -2.50 -0.04 0.00 1.12 0.00 0.00 29.99 29.89 3fn3 n HIS 172 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3fn3 s GLN 173 N -2.80 4.58 0.37 -0.41 -1.52 -1.26 -4.80 119.66 113.82 3fn3 s GLN 173 Ca 0.00 1.85 -0.15 0.00 -1.95 0.00 0.00 55.36 55.11 3fn3 s GLN 173 Cb 0.00 -3.20 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 3fn3 s GLN 173 CO 0.00 0.09 0.80 0.08 -0.25 0.00 0.00 175.29 176.01 3fn3 s VAL 174 N -0.80 4.65 0.23 1.09 1.01 -1.26 -0.30 120.40 125.02 3fn3 s VAL 174 Ca 0.47 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.48 3fn3 s VAL 174 Cb -0.32 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3fn3 s VAL 174 CO 0.40 -0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.38 3fn3 s LEU 175 N -3.29 2.37 -0.24 3.92 1.43 0.30 -4.86 118.68 118.31 3fn3 s LEU 175 Ca 0.55 -1.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 3fn3 s LEU 175 Cb -0.10 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 3fn3 s LEU 175 CO 0.21 -0.40 0.75 -0.44 0.23 0.00 0.00 176.35 176.70 3fn3 s SER 176 N -3.34 6.75 0.49 2.29 0.01 -1.26 -4.43 113.70 114.22 3fn3 s SER 176 Ca 0.27 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.49 3fn3 s SER 176 Cb 0.04 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 3fn3 s SER 176 CO 0.09 -0.45 0.09 -0.83 0.41 0.00 0.00 173.24 172.55 3fn3 s GLY 177 N 1.36 2.77 -0.24 3.44 0.00 -1.26 -4.65 107.32 108.74 3fn3 s GLY 177 Ca 0.32 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.06 3fn3 s GLY 177 CO 0.08 -2.11 -0.01 1.25 0.00 0.00 0.00 173.10 172.31 3fn3 s LYS 178 N -3.93 1.32 0.03 2.90 2.20 -0.48 -4.93 119.74 116.85 3fn3 s LYS 178 Ca 0.18 -0.93 0.06 0.00 -0.36 0.00 0.00 55.97 54.92 3fn3 s LYS 178 Cb 0.02 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 3fn3 s LYS 178 CO 0.10 -0.67 -0.14 -0.08 -0.36 0.00 0.00 175.35 174.20 3fn3 s THR 179 N 1.49 3.07 -0.17 3.43 -1.32 -1.26 -1.02 115.64 119.86 3fn3 s THR 179 Ca -0.02 -1.07 -0.02 0.00 -1.21 0.00 0.00 61.69 59.37 3fn3 s THR 179 Cb -0.18 -2.32 0.05 0.00 -1.51 0.00 0.00 72.50 68.54 3fn3 s THR 179 CO -0.09 0.34 0.01 -0.89 -2.21 0.00 0.00 174.62 171.79 3fn3 s THR 180 N -0.96 0.64 -0.08 5.08 2.01 0.85 -4.99 115.64 118.18 3fn3 s THR 180 Ca 0.16 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 3fn3 s THR 180 Cb -0.11 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 3fn3 s THR 180 CO 0.06 -0.06 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.01 3fn3 s THR 181 N 1.82 4.02 0.31 -0.82 2.01 -1.26 -2.51 115.64 119.22 3fn3 s THR 181 Ca 0.00 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3fn3 s THR 181 Cb -0.16 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.68 3fn3 s THR 181 CO -0.07 0.60 0.52 0.42 -0.69 0.00 0.00 174.62 175.39 3fn3 s THR 182 N -0.77 0.00 0.06 -0.82 -4.23 -0.86 -4.99 115.64 104.03 3fn3 s THR 182 Ca 0.12 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3fn3 s THR 182 Cb -0.11 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 3fn3 s THR 182 CO 0.02 0.00 1.08 0.20 -0.54 0.00 0.00 174.62 175.38 3fn3 s ASN 183 N -3.13 7.26 0.28 3.99 0.01 -1.26 0.30 114.94 122.38 3fn3 s ASN 183 Ca 0.25 1.88 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 3fn3 s ASN 183 Cb -0.01 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 38.93 3fn3 s ASN 183 CO 0.15 -0.31 1.27 -0.24 -1.51 0.00 0.00 177.10 176.46 3fn3 n SER 184 N 3.54 2.39 0.09 -1.22 2.88 0.13 -4.56 113.62 116.87 3fn3 n SER 184 Ca 0.06 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.90 3fn3 n SER 184 Cb 0.48 -1.41 0.21 0.00 -0.75 0.00 0.00 64.21 62.74 3fn3 n SER 184 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3fn3 h LYS 185 N 3.14 0.00 0.16 -1.46 1.57 -1.94 -3.37 116.57 114.67 3fn3 h LYS 185 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3fn3 h LYS 185 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3fn3 h LYS 185 CO 0.68 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 179.48 3fn3 h ARG 186 N 0.00 -0.21 -5.24 3.15 3.08 -1.97 -3.45 114.38 109.75 3fn3 h ARG 186 Ca 0.00 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.42 3fn3 h ARG 186 Cb 0.79 0.05 -0.23 0.00 0.08 0.00 0.00 29.97 30.66 3fn3 h ARG 186 CO 0.00 -0.14 -0.68 -2.00 -1.07 0.00 0.00 179.97 176.09 3fn3 s GLU 187 N -2.50 3.62 0.44 0.04 2.56 -1.26 -5.02 118.70 116.58 3fn3 s GLU 187 Ca -0.03 -0.54 0.12 0.00 0.00 0.00 0.00 54.97 54.52 3fn3 s GLU 187 Cb 0.00 -2.94 1.00 0.00 2.00 0.00 0.00 34.13 34.20 3fn3 s GLU 187 CO 0.09 0.16 2.04 1.05 -0.56 0.00 0.00 175.26 178.04 3fn3 h GLU 188 N 6.98 0.39 0.00 4.30 4.11 -1.87 -2.89 114.58 125.59 3fn3 h GLU 188 Ca -0.32 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.05 3fn3 h GLU 188 Cb 1.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3fn3 h GLU 188 CO 0.62 0.26 -0.51 0.87 0.07 0.00 0.00 179.01 180.31 3fn3 h LYS 189 N 0.40 0.00 -7.17 1.06 1.79 -1.95 -3.43 116.57 107.26 3fn3 h LYS 189 Ca 0.18 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.18 3fn3 h LYS 189 Cb 0.23 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.94 3fn3 h LYS 189 CO -0.04 0.09 0.19 -0.51 -1.08 0.00 0.00 179.45 178.10 3fn3 s LEU 190 N -5.93 3.10 0.03 2.94 1.43 -1.09 -4.92 118.68 114.24 3fn3 s LEU 190 Ca 0.03 0.62 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 3fn3 s LEU 190 Cb 0.07 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3fn3 s LEU 190 CO 0.73 -1.23 -0.11 -0.36 0.23 0.00 0.00 176.35 175.61 3fn3 s PHE 191 N -3.07 2.76 -0.08 0.29 0.40 -0.58 -0.69 117.98 117.00 3fn3 s PHE 191 Ca 0.56 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.60 3fn3 s PHE 191 Cb -0.11 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 3fn3 s PHE 191 CO 0.45 0.33 0.41 1.21 0.70 0.00 0.00 175.22 178.32 3fn3 s ASN 192 N -1.50 6.68 -0.08 1.36 2.47 0.15 -3.07 114.94 120.95 3fn3 s ASN 192 Ca 0.17 0.81 0.01 0.00 0.42 0.00 0.00 52.86 54.26 3fn3 s ASN 192 Cb -0.11 -2.25 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 3fn3 s ASN 192 CO 0.07 0.16 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.85 3fn3 s VAL 193 N -0.13 0.83 -0.01 -5.21 1.01 0.44 -2.03 120.40 115.29 3fn3 s VAL 193 Ca 0.23 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3fn3 s VAL 193 Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3fn3 s VAL 193 CO 0.10 0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.50 3fn3 s THR 194 N 1.24 0.93 0.02 3.92 2.01 -1.04 0.14 115.64 122.86 3fn3 s THR 194 Ca -0.05 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 3fn3 s THR 194 Cb -0.14 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 3fn3 s THR 194 CO -0.02 0.27 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.61 3fn3 s SER 195 N -0.19 0.25 -0.02 3.53 0.15 -0.45 -0.11 113.70 116.86 3fn3 s SER 195 Ca 0.03 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3fn3 s SER 195 Cb -0.05 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 3fn3 s SER 195 CO -0.00 -0.34 0.00 -0.89 1.20 0.00 0.00 173.24 173.21 3fn3 s THR 196 N -1.75 0.10 -0.11 6.45 2.01 -0.19 -2.23 115.64 119.93 3fn3 s THR 196 Ca -0.13 0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3fn3 s THR 196 Cb -0.08 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 3fn3 s THR 196 CO -0.02 0.09 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.60 3fn3 s LEU 197 N 0.66 2.39 -0.24 4.42 0.20 0.03 -1.38 118.68 124.75 3fn3 s LEU 197 Ca -0.06 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.26 3fn3 s LEU 197 Cb -0.09 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 3fn3 s LEU 197 CO -0.01 0.17 0.01 -0.13 -0.29 0.00 0.00 176.35 176.09 3fn3 s ARG 198 N 0.33 3.41 -0.16 1.98 0.52 -1.26 -0.94 118.95 122.83 3fn3 s ARG 198 Ca -0.15 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 3fn3 s ARG 198 Cb -0.17 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 32.18 3fn3 s ARG 198 CO 0.07 -0.24 0.41 -1.50 0.02 0.00 0.00 175.30 174.07 3fn3 s ILE 199 N 1.52 -0.01 -0.17 1.52 1.10 -0.66 -4.94 121.20 119.56 3fn3 s ILE 199 Ca 0.05 0.02 -0.29 0.00 -0.51 0.00 0.00 60.65 59.92 3fn3 s ILE 199 Cb -0.15 -0.59 -0.00 0.00 0.15 0.00 0.00 42.46 41.87 3fn3 s ILE 199 CO -0.00 0.01 1.11 0.20 -2.11 0.00 0.00 174.94 174.15 3fn3 s ASN 200 N 0.50 7.07 0.00 4.50 0.01 -1.26 -0.60 114.94 125.16 3fn3 s ASN 200 Ca -0.02 1.53 0.00 0.00 -0.71 0.00 0.00 52.86 53.66 3fn3 s ASN 200 Cb -0.04 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3fn3 s ASN 200 CO -0.03 -0.65 0.00 1.07 -1.51 0.00 0.00 177.10 175.98 3fn3 n THR 201 N 5.14 0.00 -3.73 1.60 5.66 -1.00 -4.94 114.28 117.01 3fn3 n THR 201 Ca 0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.00 3fn3 n THR 201 Cb 0.46 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 3fn3 n THR 201 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3fn3 s THR 202 N -2.00 0.07 0.04 1.09 -4.23 -1.26 -4.80 115.64 104.55 3fn3 s THR 202 Ca 0.00 -0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 59.66 3fn3 s THR 202 Cb 0.00 -0.89 -0.14 0.00 1.34 0.00 0.00 72.50 72.81 3fn3 s THR 202 CO 0.00 -0.32 0.68 0.41 -0.54 0.00 0.00 174.62 174.85 3fn3 n THR 203 N 0.69 0.36 0.00 3.99 -1.04 -1.26 -1.34 114.28 115.68 3fn3 n THR 203 Ca -0.19 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3fn3 n THR 203 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3fn3 n THR 203 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3fn3 n ASN 204 N 1.18 0.00 -4.59 8.00 3.02 0.21 -4.98 115.26 118.10 3fn3 n ASN 204 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 3fn3 n ASN 204 Cb 0.09 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 3fn3 n ASN 204 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fn3 n GLU 205 N -2.00 1.13 -4.83 3.52 -0.58 -0.45 -4.69 120.64 112.75 3fn3 n GLU 205 Ca 0.00 0.42 -0.32 0.00 -0.42 0.00 0.00 57.16 56.84 3fn3 n GLU 205 Cb 0.00 -2.03 -0.13 0.00 -0.57 0.00 0.00 31.44 28.71 3fn3 n GLU 205 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3fn3 s ILE 206 N -1.39 2.87 0.04 -3.67 1.01 -1.26 -1.61 121.20 117.20 3fn3 s ILE 206 Ca 0.67 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3fn3 s ILE 206 Cb -0.51 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3fn3 s ILE 206 CO 0.54 0.48 -0.05 -0.36 0.00 0.00 0.00 174.94 175.55 3fn3 s PHE 207 N -0.81 0.53 0.04 3.97 0.40 -0.16 -2.59 117.98 119.35 3fn3 s PHE 207 Ca 0.13 -0.64 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 3fn3 s PHE 207 Cb -0.11 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.06 3fn3 s PHE 207 CO 0.03 -0.17 -0.22 0.71 0.70 0.00 0.00 175.22 176.27 3fn3 s TYR 208 N -2.01 1.94 -0.20 0.36 1.51 -0.48 -0.53 117.35 117.93 3fn3 s TYR 208 Ca -0.07 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3fn3 s TYR 208 Cb -0.06 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3fn3 s TYR 208 CO -0.02 0.09 -0.17 0.00 -1.11 0.00 0.00 175.55 174.33 3fn3 s THR 210 N 1.24 3.95 -0.48 0.00 2.01 -0.43 -1.78 115.64 120.15 3fn3 s THR 210 Ca 0.01 -0.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 3fn3 s THR 210 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 72.50 69.49 3fn3 s THR 210 CO -0.11 0.27 0.68 -0.36 -0.69 0.00 0.00 174.62 174.41 3fn3 s PHE 211 N 1.54 3.02 0.28 4.92 0.40 0.25 -1.34 117.98 127.05 3fn3 s PHE 211 Ca 0.05 -0.23 0.07 0.00 -0.60 0.00 0.00 56.93 56.22 3fn3 s PHE 211 Cb -0.16 -3.52 -0.03 0.00 0.51 0.00 0.00 43.02 39.82 3fn3 s PHE 211 CO 0.01 -1.00 0.26 0.50 0.70 0.00 0.00 175.22 175.69 3fn3 s ARG 212 N 2.91 2.94 -0.28 0.44 3.52 -0.61 -2.07 118.95 125.79 3fn3 s ARG 212 Ca 0.21 -1.09 -0.20 0.00 -0.13 0.00 0.00 55.73 54.52 3fn3 s ARG 212 Cb -0.16 -2.59 0.13 0.00 -1.56 0.00 0.00 34.95 30.77 3fn3 s ARG 212 CO 0.16 0.30 0.97 0.50 -0.81 0.00 0.00 175.30 176.42 3fn3 s ARG 213 N -3.92 0.48 0.50 5.12 3.00 -1.02 -1.75 118.95 121.37 3fn3 s ARG 213 Ca 0.36 0.70 0.07 0.00 -1.00 0.00 0.00 55.73 55.85 3fn3 s ARG 213 Cb -0.08 0.17 0.04 0.00 0.00 0.00 0.00 34.95 35.08 3fn3 s ARG 213 CO 0.26 -0.08 0.68 -0.51 0.00 0.00 0.00 175.30 175.66 3fn3 s LEU 214 N 0.83 3.42 -0.87 -0.88 1.43 -1.26 -0.33 118.68 121.02 3fn3 s LEU 214 Ca -0.03 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 3fn3 s LEU 214 Cb -0.04 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3fn3 s LEU 214 CO -0.11 -1.03 0.66 0.47 0.23 0.00 0.00 176.35 176.57 3fn3 n ASP 215 N -2.08 -5.69 -4.90 2.29 8.00 -1.26 -4.46 116.55 108.45 3fn3 n ASP 215 Ca 0.10 -0.75 -0.28 0.00 0.71 0.00 0.00 54.79 54.57 3fn3 n ASP 215 Cb 0.60 -2.91 0.01 0.00 -0.02 0.00 0.00 41.12 38.79 3fn3 n ASP 215 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3fn3 s PRO 216 N -4.71 3.41 0.53 -0.24 0.04 -1.26 -5.10 135.00 127.67 3fn3 s PRO 216 Ca 0.10 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.25 3fn3 s PRO 216 Cb -0.04 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3fn3 s PRO 216 CO 0.86 -0.44 1.32 -2.00 0.04 0.00 0.00 177.00 176.78 3fn3 s GLU 217 N -4.94 3.26 -0.19 4.56 2.12 -1.25 -4.88 118.70 117.38 3fn3 s GLU 217 Ca 0.51 2.14 -0.07 0.00 0.36 0.00 0.00 54.97 57.92 3fn3 s GLU 217 Cb -0.11 -2.28 0.08 0.00 0.26 0.00 0.00 34.13 32.08 3fn3 s GLU 217 CO 0.48 -1.07 0.40 -2.00 -0.54 0.00 0.00 175.26 172.53 3fn3 s GLU 218 N -2.87 0.31 -0.05 4.30 2.12 0.55 -4.95 118.70 118.12 3fn3 s GLU 218 Ca 0.70 0.97 -0.00 0.00 0.36 0.00 0.00 54.97 57.00 3fn3 s GLU 218 Cb -0.38 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 3fn3 s GLU 218 CO 0.45 -0.24 -0.01 -0.80 -0.54 0.00 0.00 175.26 174.12 3fn3 s ASN 219 N 2.40 5.07 -0.03 -1.70 0.01 -1.26 -2.42 114.94 117.01 3fn3 s ASN 219 Ca -0.03 0.05 -0.01 0.00 -0.71 0.00 0.00 52.86 52.17 3fn3 s ASN 219 Cb -0.11 -1.36 0.03 0.00 0.41 0.00 0.00 41.25 40.22 3fn3 s ASN 219 CO -0.12 0.34 0.04 -1.00 -1.51 0.00 0.00 177.10 174.85 3fn3 s HIS 220 N -0.94 0.06 0.00 2.20 3.76 -0.88 -4.98 115.29 114.51 3fn3 s HIS 220 Ca 0.15 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.26 3fn3 s HIS 220 Cb -0.11 -0.34 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 3fn3 s HIS 220 CO 0.05 -0.13 -0.07 0.95 -0.85 0.00 0.00 174.74 174.69 3fn3 s THR 221 N 1.49 0.54 0.03 1.30 -4.23 -1.26 0.87 115.64 114.38 3fn3 s THR 221 Ca -0.04 -0.40 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 3fn3 s THR 221 Cb -0.13 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 3fn3 s THR 221 CO -0.03 0.08 0.14 0.00 -0.54 0.00 0.00 174.62 174.27 3fn3 s ALA 222 N -0.33 3.78 -0.19 3.99 0.00 -0.73 -4.97 121.76 123.31 3fn3 s ALA 222 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 3fn3 s ALA 222 Cb -0.04 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3fn3 s ALA 222 CO -0.00 0.75 0.21 -2.00 0.00 0.00 0.00 175.76 174.72 3fn3 s GLU 223 N -2.11 4.19 -0.20 0.00 2.12 -1.26 -2.95 118.70 118.49 3fn3 s GLU 223 Ca 0.28 -0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.50 3fn3 s GLU 223 Cb -0.12 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 3fn3 s GLU 223 CO 0.20 0.21 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.54 3fn3 s LEU 224 N 0.59 2.68 -0.24 2.70 1.02 0.31 -4.99 118.68 120.75 3fn3 s LEU 224 Ca 0.11 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.74 3fn3 s LEU 224 Cb -0.12 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 3fn3 s LEU 224 CO 0.02 -0.00 0.07 -0.69 0.02 0.00 0.00 176.35 175.77 3fn3 s VAL 225 N 1.34 4.44 0.00 -1.59 1.01 -1.26 -0.99 120.40 123.35 3fn3 s VAL 225 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3fn3 s VAL 225 Cb -0.14 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3fn3 s VAL 225 CO -0.05 0.36 1.98 -0.63 0.00 0.00 0.00 175.10 176.75 3fn3 s ILE 226 N 1.39 3.05 0.90 2.22 -1.09 -0.63 -4.91 121.20 122.13 3fn3 s ILE 226 Ca 0.05 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.41 3fn3 s ILE 226 Cb -0.15 -3.04 0.18 0.00 -1.58 0.00 0.00 42.46 37.88 3fn3 s ILE 226 CO 0.04 -0.01 1.24 -2.16 -1.23 0.00 0.00 174.94 172.82 3fn3 s PRO 227 N 4.65 0.88 -0.15 2.79 0.04 -1.26 0.67 135.00 142.62 3fn3 s PRO 227 Ca 0.89 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.34 3fn3 s PRO 227 Cb -0.41 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 3fn3 s PRO 227 CO 0.40 -2.19 -0.16 -2.00 0.04 0.00 0.00 177.00 173.10 3fn3 s GLU 228 N -5.71 3.19 0.26 4.56 2.12 -1.26 -4.39 118.70 117.47 3fn3 s GLU 228 Ca 0.72 -0.76 0.11 0.00 0.36 0.00 0.00 54.97 55.40 3fn3 s GLU 228 Cb -0.04 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 3fn3 s GLU 228 CO 0.51 0.01 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.63 3fn3 s LEU 229 N 0.81 2.88 0.11 2.70 1.43 -1.26 -5.11 118.68 120.25 3fn3 s LEU 229 Ca -0.05 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 3fn3 s LEU 229 Cb -0.15 -1.42 -0.16 0.00 0.03 0.00 0.00 46.19 44.48 3fn3 s LEU 229 CO -0.00 0.03 0.64 -2.65 0.23 0.00 0.00 176.35 174.60 3fn3 n PRO 230 N -0.64 0.00 -2.66 1.29 -0.02 -1.26 -4.79 135.00 126.92 3fn3 n PRO 230 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 3fn3 n PRO 230 Cb 0.59 -1.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.99 3fn3 n PRO 230 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fn3 n LEU 231 N 1.60 -5.32 0.00 2.45 4.77 -1.26 -5.22 117.00 114.02 3fn3 n LEU 231 Ca 0.17 1.92 0.09 0.00 -0.03 0.00 0.00 56.01 58.15 3fn3 n LEU 231 Cb 0.16 -2.65 0.54 0.00 -2.33 0.00 0.00 43.42 39.14 3fn3 n LEU 231 CO 0.51 -3.38 0.74 0.00 -1.33 0.00 0.00 177.39 173.93