#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjc n PHE 1 N 0.00 1.85 -2.83 -1.40 7.35 -1.26 -5.01 117.46 116.16 3fjc n PHE 1 Ca 0.00 -2.01 -0.42 0.00 -0.76 0.00 0.00 57.45 54.26 3fjc n PHE 1 Cb 0.00 -0.29 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 3fjc n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjc s ASN 2 N -3.52 6.89 0.10 -2.13 0.01 -1.26 -5.03 114.94 110.00 3fjc s ASN 2 Ca 0.42 1.09 0.05 0.00 -0.71 0.00 0.00 52.86 53.71 3fjc s ASN 2 Cb 0.38 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3fjc s ASN 2 CO -0.01 -0.57 0.03 -0.76 -1.51 0.00 0.00 177.10 174.28 3fjc s LEU 3 N 2.97 3.56 0.43 0.60 1.43 -1.26 -0.50 118.68 125.90 3fjc s LEU 3 Ca 0.37 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 3fjc s LEU 3 Cb -0.15 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 3fjc s LEU 3 CO 0.08 0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.74 3fjc s PRO 4 N -2.42 3.99 -0.97 1.29 0.04 -1.26 -4.58 135.00 131.08 3fjc s PRO 4 Ca 0.27 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 3fjc s PRO 4 Cb -0.12 -2.43 0.12 0.00 0.04 0.00 0.00 34.50 32.11 3fjc s PRO 4 CO 0.20 -0.31 1.22 -1.25 0.04 0.00 0.00 177.00 176.90 3fjc s PRO 5 N -2.68 3.63 0.10 0.56 0.04 -1.26 -4.91 135.00 130.48 3fjc s PRO 5 Ca 0.61 -1.68 -0.26 0.00 0.04 0.00 0.00 61.00 59.72 3fjc s PRO 5 Cb -0.23 -5.03 0.09 0.00 0.04 0.00 0.00 34.50 29.37 3fjc s PRO 5 CO 0.28 -1.87 1.12 0.20 0.04 0.00 0.00 177.00 176.78 3fjc s GLY 6 N 3.88 -0.11 0.04 0.56 0.00 -1.26 -5.19 107.32 105.24 3fjc s GLY 6 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3fjc s GLY 6 CO -0.09 2.06 0.01 1.16 0.00 0.00 0.00 173.10 176.24 3fjc n ASN 7 N -0.89 1.44 -0.20 1.64 0.23 -1.26 -5.05 115.26 111.17 3fjc n ASN 7 Ca -0.03 -1.20 0.08 0.00 -0.53 0.00 0.00 54.58 52.90 3fjc n ASN 7 Cb 0.60 0.07 0.14 0.00 -2.08 0.00 0.00 39.78 38.51 3fjc n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjc n TYR 8 N -0.10 0.16 -0.30 -2.53 4.01 -1.26 -4.77 117.16 112.37 3fjc n TYR 8 Ca -0.01 -0.88 0.02 0.00 -0.16 0.00 0.00 57.90 56.87 3fjc n TYR 8 Cb 0.06 -0.15 0.16 0.00 -0.31 0.00 0.00 39.34 39.10 3fjc n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjc h LYS 9 N 0.35 0.83 -5.94 -0.72 1.57 -1.97 -3.44 116.57 107.25 3fjc h LYS 9 Ca 0.00 -0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 58.19 3fjc h LYS 9 Cb 0.97 -0.19 -0.14 0.00 0.08 0.00 0.00 32.23 32.95 3fjc h LYS 9 CO 0.03 0.55 -0.75 0.15 -0.57 0.00 0.00 179.45 178.86 3fjc s LYS 10 N -6.04 1.53 0.87 3.15 1.02 -1.26 -5.13 119.74 113.87 3fjc s LYS 10 Ca -0.12 -1.69 -0.10 0.00 0.02 0.00 0.00 55.97 54.07 3fjc s LYS 10 Cb 0.19 -1.49 0.11 0.00 -0.52 0.00 0.00 37.83 36.12 3fjc s LYS 10 CO 0.79 0.27 1.12 -1.25 -0.92 0.00 0.00 175.35 175.35 3fjc s PRO 11 N -3.55 1.45 0.09 -1.68 0.04 -1.26 -4.78 135.00 125.31 3fjc s PRO 11 Ca 0.27 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 3fjc s PRO 11 Cb -0.03 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 3fjc s PRO 11 CO 0.11 -2.26 0.05 0.15 0.04 0.00 0.00 177.00 175.10 3fjc s LYS 12 N -4.76 0.79 -0.07 4.56 -0.14 0.14 -4.09 119.74 116.16 3fjc s LYS 12 Ca 0.64 -1.26 -0.05 0.00 -1.36 0.00 0.00 55.97 53.95 3fjc s LYS 12 Cb -0.20 0.25 -0.04 0.00 -1.68 0.00 0.00 37.83 36.16 3fjc s LYS 12 CO 0.57 -0.20 0.13 -0.51 -0.76 0.00 0.00 175.35 174.58 3fjc s LEU 13 N -2.96 4.24 -0.52 3.17 1.43 0.12 -0.72 118.68 123.45 3fjc s LEU 13 Ca 0.13 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3fjc s LEU 13 Cb 0.07 -2.21 0.13 0.00 0.03 0.00 0.00 46.19 44.21 3fjc s LEU 13 CO -0.05 0.35 0.38 -0.76 0.23 0.00 0.00 176.35 176.50 3fjc s LEU 14 N -1.34 5.68 -0.13 1.79 1.43 -1.26 -0.22 118.68 124.62 3fjc s LEU 14 Ca 0.19 -2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 50.93 3fjc s LEU 14 Cb -0.12 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3fjc s LEU 14 CO 0.09 -0.62 0.68 -0.47 0.23 0.00 0.00 176.35 176.25 3fjc s TYR 15 N 1.02 3.48 -0.27 0.29 5.04 -0.46 -0.65 117.35 125.81 3fjc s TYR 15 Ca 0.09 1.11 -0.10 0.00 -2.44 0.00 0.00 57.07 55.73 3fjc s TYR 15 Cb -0.24 -2.81 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 3fjc s TYR 15 CO -0.02 -0.04 0.16 0.00 -1.34 0.00 0.00 175.55 174.30 3fjc h SER 17 N 8.32 0.00 -0.31 0.00 0.87 -1.77 0.26 113.55 120.92 3fjc h SER 17 Ca -0.36 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 3fjc h SER 17 Cb 1.19 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 3fjc h SER 17 CO 0.56 0.20 -0.48 -1.13 -0.53 0.00 0.00 176.83 175.45 3fjc h ASN 18 N 0.00 -1.61 -0.03 6.23 -1.24 -1.81 -3.19 115.58 113.93 3fjc h ASN 18 Ca -0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3fjc h ASN 18 Cb 0.38 0.65 0.00 0.00 0.73 0.00 0.00 38.32 40.08 3fjc h ASN 18 CO 0.03 -0.37 0.00 0.61 -1.29 0.00 0.00 177.43 176.41 3fjc n GLY 19 N -1.34 0.84 2.50 1.57 0.00 -1.23 -4.80 105.19 102.73 3fjc n GLY 19 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3fjc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjc n GLY 20 N -0.13 0.11 3.64 -0.02 0.00 0.89 -5.01 105.19 104.67 3fjc n GLY 20 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3fjc n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjc s HIS 21 N -3.18 2.91 -0.07 1.61 3.76 -1.03 -4.58 115.29 114.72 3fjc s HIS 21 Ca 0.20 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 3fjc s HIS 21 Cb -0.09 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 3fjc s HIS 21 CO 0.39 0.45 0.44 -0.06 -0.85 0.00 0.00 174.74 175.11 3fjc s PHE 22 N -1.23 3.59 0.14 1.40 0.08 0.46 0.00 117.98 122.43 3fjc s PHE 22 Ca 0.23 0.92 -0.31 0.00 0.12 0.00 0.00 56.93 57.88 3fjc s PHE 22 Cb -0.11 -2.44 -0.09 0.00 -0.57 0.00 0.00 43.02 39.80 3fjc s PHE 22 CO 0.15 0.35 1.53 -1.17 -0.10 0.00 0.00 175.22 175.98 3fjc s LEU 23 N -0.04 4.37 0.01 -0.37 2.96 0.18 -1.86 118.68 123.93 3fjc s LEU 23 Ca 0.24 2.53 0.04 0.00 -0.22 0.00 0.00 54.13 56.73 3fjc s LEU 23 Cb -0.16 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3fjc s LEU 23 CO 0.11 -0.79 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.62 3fjc s ARG 24 N 1.25 0.98 -0.08 1.98 3.52 0.72 -4.46 118.95 122.87 3fjc s ARG 24 Ca 0.69 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.70 3fjc s ARG 24 Cb -0.42 -0.96 0.03 0.00 -1.56 0.00 0.00 34.95 32.03 3fjc s ARG 24 CO 0.31 0.25 -0.02 -1.50 -0.81 0.00 0.00 175.30 173.53 3fjc s ILE 25 N -0.54 0.58 0.70 4.11 2.07 -0.73 -1.36 121.20 126.03 3fjc s ILE 25 Ca 0.03 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.15 3fjc s ILE 25 Cb -0.06 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.85 3fjc s ILE 25 CO 0.00 0.29 1.07 -0.76 -1.91 0.00 0.00 174.94 173.64 3fjc s LEU 26 N 1.86 2.97 0.50 8.50 1.43 -0.05 -4.80 118.68 129.08 3fjc s LEU 26 Ca 0.04 1.34 0.23 0.00 -1.03 0.00 0.00 54.13 54.71 3fjc s LEU 26 Cb -0.12 -4.18 1.30 0.00 0.03 0.00 0.00 46.19 43.22 3fjc s LEU 26 CO -0.06 -1.38 1.96 -0.65 0.23 0.00 0.00 176.35 176.45 3fjc h PRO 27 N -0.68 0.13 -0.00 1.29 0.11 -1.98 0.82 132.00 131.69 3fjc h PRO 27 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fjc h PRO 27 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fjc h PRO 27 CO 0.61 0.09 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.07 3fjc n ASP 28 N -4.40 0.14 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.83 3fjc n ASP 28 Ca 0.12 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 3fjc n ASP 28 Cb 0.63 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3fjc n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjc n GLY 29 N 1.13 0.42 3.69 6.12 0.00 0.28 -4.96 105.19 111.87 3fjc n GLY 29 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3fjc n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjc s THR 30 N -2.02 3.36 -0.10 2.61 2.01 -1.25 -3.59 115.64 116.65 3fjc s THR 30 Ca 0.00 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.83 3fjc s THR 30 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3fjc s THR 30 CO 0.00 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.16 3fjc s VAL 31 N 2.20 3.42 0.00 3.82 1.01 -1.26 -0.87 120.40 128.72 3fjc s VAL 31 Ca 0.68 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3fjc s VAL 31 Cb -0.36 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3fjc s VAL 31 CO 0.29 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 3fjc n ASP 32 N 2.95 0.00 -4.12 3.32 5.75 -0.46 -4.54 116.55 119.44 3fjc n ASP 32 Ca -0.18 -0.13 -0.18 0.00 -0.01 0.00 0.00 54.79 54.29 3fjc n ASP 32 Cb 0.53 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 3fjc n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjc s GLY 33 N -0.41 0.71 0.03 6.12 0.00 -0.13 -0.20 107.32 113.44 3fjc s GLY 33 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3fjc s GLY 33 CO 0.00 -0.80 -0.05 -1.08 0.00 0.00 0.00 173.10 171.17 3fjc s THR 34 N -0.96 0.34 -2.56 0.90 -1.32 -0.78 -4.75 115.64 106.51 3fjc s THR 34 Ca -0.01 -0.98 0.24 0.00 -1.21 0.00 0.00 61.69 59.73 3fjc s THR 34 Cb -0.08 -0.44 0.40 0.00 -1.51 0.00 0.00 72.50 70.87 3fjc s THR 34 CO 0.01 -0.43 1.49 0.54 -2.21 0.00 0.00 174.62 174.02 3fjc n ARG 35 N 1.56 2.06 -2.65 7.08 1.74 -1.26 -0.40 116.66 124.78 3fjc n ARG 35 Ca -0.23 -1.57 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 3fjc n ARG 35 Cb 0.55 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3fjc n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjc s ASP 36 N -1.75 6.19 0.00 0.55 2.15 -1.26 -4.88 116.67 117.67 3fjc s ASP 36 Ca 0.34 -0.57 0.11 0.00 0.43 0.00 0.00 52.55 52.86 3fjc s ASP 36 Cb 0.20 -2.51 0.53 0.00 -0.30 0.00 0.00 42.92 40.84 3fjc s ASP 36 CO 0.30 -1.68 1.26 -1.14 -0.17 0.00 0.00 175.17 173.74 3fjc n ARG 37 N 8.77 0.12 0.00 4.34 0.63 -1.26 -1.41 116.66 127.85 3fjc n ARG 37 Ca 0.01 0.21 0.12 0.00 -0.92 0.00 0.00 57.85 57.27 3fjc n ARG 37 Cb 0.48 -1.50 0.23 0.00 0.45 0.00 0.00 32.46 32.12 3fjc n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fjc n SER 38 N -1.33 0.84 -4.65 6.15 3.41 -1.26 -4.95 113.62 111.84 3fjc n SER 38 Ca 0.05 -0.64 -0.41 0.00 -0.26 0.00 0.00 58.87 57.61 3fjc n SER 38 Cb 0.09 0.31 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3fjc n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjc n ASP 39 N -1.11 1.71 -0.97 4.04 -0.08 -0.50 -4.91 116.55 114.73 3fjc n ASP 39 Ca 0.08 1.04 0.11 0.00 -1.51 0.00 0.00 54.79 54.51 3fjc n ASP 39 Cb 0.35 -1.41 0.26 0.00 2.34 0.00 0.00 41.12 42.66 3fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjc n GLN 40 N -0.01 2.26 -1.80 -0.67 1.13 -1.26 -4.30 117.38 112.73 3fjc n GLN 40 Ca 0.09 -1.91 -0.11 0.00 -1.94 0.00 0.00 57.00 53.12 3fjc n GLN 40 Cb 0.40 -1.47 0.07 0.00 0.11 0.00 0.00 30.24 29.35 3fjc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjc n HIS 41 N 1.12 1.69 -0.21 1.08 8.25 -1.26 -4.67 115.22 121.22 3fjc n HIS 41 Ca 0.18 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.72 3fjc n HIS 41 Cb 0.51 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3fjc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjc n ILE 42 N -0.70 0.40 -3.16 1.59 -5.35 -1.26 -1.77 119.36 109.10 3fjc n ILE 42 Ca 0.30 -0.60 -0.39 0.00 -0.27 0.00 0.00 62.75 61.79 3fjc n ILE 42 Cb 0.89 0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 39.64 3fjc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjc s GLN 43 N -0.40 4.37 0.04 6.28 1.11 -1.26 -4.34 119.66 125.46 3fjc s GLN 43 Ca 0.00 0.67 0.06 0.00 0.01 0.00 0.00 55.36 56.10 3fjc s GLN 43 Cb 0.00 -3.46 -0.02 0.00 -1.01 0.00 0.00 33.01 28.52 3fjc s GLN 43 CO 0.00 0.06 -0.17 -1.58 0.01 0.00 0.00 175.29 173.60 3fjc s TRP 44 N 0.89 1.50 -0.18 0.91 0.52 0.10 -2.01 118.94 120.68 3fjc s TRP 44 Ca 0.32 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 3fjc s TRP 44 Cb -0.16 -0.90 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 3fjc s TRP 44 CO 0.14 0.06 -0.13 -1.14 0.02 0.00 0.00 176.95 175.90 3fjc s GLN 45 N -1.11 3.21 0.11 4.98 2.00 0.14 0.26 119.66 129.25 3fjc s GLN 45 Ca 0.05 -0.73 0.02 0.00 -2.00 0.00 0.00 55.36 52.70 3fjc s GLN 45 Cb -0.08 -2.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.96 3fjc s GLN 45 CO 0.01 -0.11 0.20 -0.51 -0.50 0.00 0.00 175.29 174.38 3fjc s LEU 46 N 1.14 4.15 -0.00 3.68 1.02 -1.26 -1.17 118.68 126.23 3fjc s LEU 46 Ca 0.01 0.12 -0.11 0.00 0.02 0.00 0.00 54.13 54.16 3fjc s LEU 46 Cb -0.14 -2.76 0.01 0.00 0.02 0.00 0.00 46.19 43.32 3fjc s LEU 46 CO -0.04 0.12 0.23 -0.94 0.02 0.00 0.00 176.35 175.73 3fjc s SER 47 N -2.82 -0.09 -0.17 2.29 1.04 -0.93 -4.77 113.70 108.26 3fjc s SER 47 Ca 0.33 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.62 3fjc s SER 47 Cb -0.12 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3fjc s SER 47 CO 0.26 -0.43 0.07 0.00 0.98 0.00 0.00 173.24 174.12 3fjc s ALA 48 N -1.48 3.50 -0.14 5.32 0.00 -1.26 -0.99 121.76 126.70 3fjc s ALA 48 Ca -0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3fjc s ALA 48 Cb -0.06 -1.91 -0.24 0.00 0.00 0.00 0.00 23.12 20.91 3fjc s ALA 48 CO 0.02 0.28 0.28 0.39 0.00 0.00 0.00 175.76 176.74 3fjc n GLU 49 N 3.16 0.72 -3.96 0.00 -0.58 -0.35 -4.96 120.64 114.68 3fjc n GLU 49 Ca -0.17 0.23 -0.08 0.00 -0.42 0.00 0.00 57.16 56.72 3fjc n GLU 49 Cb 0.53 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 3fjc n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3fjc s SER 50 N -6.75 0.24 0.06 1.62 0.01 -1.24 -5.04 113.70 102.60 3fjc s SER 50 Ca -0.22 -0.82 -0.34 0.00 1.31 0.00 0.00 55.95 55.88 3fjc s SER 50 Cb 0.07 0.30 -0.13 0.00 0.21 0.00 0.00 66.02 66.47 3fjc s SER 50 CO 0.75 -0.70 1.68 0.52 0.41 0.00 0.00 173.24 175.90 3fjc n VAL 51 N -0.02 0.22 -0.89 3.43 0.31 -1.26 -0.86 118.33 119.26 3fjc n VAL 51 Ca -0.13 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3fjc n VAL 51 Cb 0.62 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3fjc n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjc n GLY 52 N 3.74 1.10 3.32 2.92 0.00 -1.26 -5.01 105.19 110.00 3fjc n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3fjc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjc s GLU 53 N -0.05 3.36 0.12 1.61 2.02 -0.04 -1.27 118.70 124.44 3fjc s GLU 53 Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3fjc s GLU 53 Cb 0.00 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 3fjc s GLU 53 CO 0.00 -0.02 -0.11 0.14 0.02 0.00 0.00 175.26 175.30 3fjc s VAL 54 N 0.96 1.08 0.05 2.63 -7.23 -0.06 -1.21 120.40 116.62 3fjc s VAL 54 Ca -0.01 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 3fjc s VAL 54 Cb -0.15 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3fjc s VAL 54 CO -0.01 -0.62 0.08 -0.31 -0.31 0.00 0.00 175.10 173.93 3fjc s TYR 55 N -2.78 3.21 -0.30 2.82 2.02 -0.16 -1.34 117.35 120.83 3fjc s TYR 55 Ca 0.10 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 3fjc s TYR 55 Cb -0.01 -1.66 0.09 0.00 -0.40 0.00 0.00 41.96 39.98 3fjc s TYR 55 CO 0.00 0.53 0.06 0.42 -1.57 0.00 0.00 175.55 174.99 3fjc s ILE 56 N -1.31 1.26 -0.08 2.71 1.01 -1.26 -2.18 121.20 121.35 3fjc s ILE 56 Ca 0.27 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.41 3fjc s ILE 56 Cb -0.12 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3fjc s ILE 56 CO 0.19 -0.54 -0.12 -0.75 0.00 0.00 0.00 174.94 173.71 3fjc s LYS 57 N 1.44 2.85 -0.04 2.79 2.20 -0.32 -0.18 119.74 128.49 3fjc s LYS 57 Ca 0.07 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 3fjc s LYS 57 Cb -0.18 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 3fjc s LYS 57 CO -0.17 0.50 1.42 0.45 -0.36 0.00 0.00 175.35 177.18 3fjc s SER 58 N -0.38 6.84 0.27 1.43 0.15 0.25 0.26 113.70 122.51 3fjc s SER 58 Ca 0.04 2.05 0.11 0.00 0.70 0.00 0.00 55.95 58.86 3fjc s SER 58 Cb -0.12 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 61.96 3fjc s SER 58 CO 0.02 -0.76 1.59 0.71 1.20 0.00 0.00 173.24 176.00 3fjc h THR 59 N 5.14 1.40 0.00 6.45 1.35 -1.74 0.27 112.91 125.79 3fjc h THR 59 Ca -0.36 -2.19 -0.00 0.00 -0.55 0.00 0.00 66.41 63.31 3fjc h THR 59 Cb 1.16 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3fjc h THR 59 CO 0.92 0.62 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.73 3fjc h GLU 60 N 0.00 -0.00 0.00 4.72 4.57 -1.84 -3.37 114.58 118.66 3fjc h GLU 60 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fjc h GLU 60 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3fjc h GLU 60 CO 0.08 0.72 -1.27 0.25 -1.18 0.00 0.00 179.01 177.61 3fjc n THR 61 N -4.74 0.06 -0.72 0.32 -2.24 -1.24 -4.97 114.28 100.74 3fjc n THR 61 Ca -0.09 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3fjc n THR 61 Cb 0.35 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3fjc n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjc n GLY 62 N 1.39 1.32 3.80 3.38 0.00 0.96 -5.01 105.19 111.03 3fjc n GLY 62 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3fjc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjc s GLN 63 N -0.08 3.85 -0.14 1.61 -0.21 -1.25 -4.70 119.66 118.73 3fjc s GLN 63 Ca 0.00 1.33 -0.12 0.00 0.02 0.00 0.00 55.36 56.59 3fjc s GLN 63 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 3fjc s GLN 63 CO 0.00 -0.39 0.26 0.71 -2.12 0.00 0.00 175.29 173.75 3fjc s TYR 64 N -2.01 3.51 0.31 0.91 1.51 0.18 -0.58 117.35 121.18 3fjc s TYR 64 Ca 0.67 0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 57.03 3fjc s TYR 64 Cb -0.15 -2.24 -0.10 0.00 -0.11 0.00 0.00 41.96 39.36 3fjc s TYR 64 CO 0.19 0.38 1.28 -1.17 -1.11 0.00 0.00 175.55 175.13 3fjc s LEU 65 N -0.00 4.44 0.12 -1.29 2.96 0.75 -0.55 118.68 125.10 3fjc s LEU 65 Ca 0.16 2.61 -0.13 0.00 -0.22 0.00 0.00 54.13 56.55 3fjc s LEU 65 Cb -0.13 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 42.94 3fjc s LEU 65 CO 0.04 -0.48 0.33 0.00 -1.32 0.00 0.00 176.35 174.92 3fjc s ALA 66 N -1.03 -0.65 -0.12 5.97 0.00 -0.02 -4.47 121.76 121.44 3fjc s ALA 66 Ca 0.49 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3fjc s ALA 66 Cb -0.39 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3fjc s ALA 66 CO 0.50 -0.61 -0.22 1.41 0.00 0.00 0.00 175.76 176.84 3fjc s MET 67 N -3.83 2.98 0.94 0.00 1.75 -0.85 -0.30 119.30 119.99 3fjc s MET 67 Ca 0.05 -0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 53.50 3fjc s MET 67 Cb 0.03 -2.36 0.20 0.00 2.84 0.00 0.00 34.83 35.54 3fjc s MET 67 CO -0.11 0.05 1.29 0.16 -0.65 0.00 0.00 175.02 175.76 3fjc s ASP 68 N 0.66 3.20 0.58 1.11 1.47 0.82 -4.80 116.67 119.70 3fjc s ASP 68 Ca -0.11 0.15 0.35 0.00 1.18 0.00 0.00 52.55 54.12 3fjc s ASP 68 Cb -0.16 -0.21 1.90 0.00 -0.34 0.00 0.00 42.92 44.11 3fjc s ASP 68 CO 0.02 -2.67 2.06 0.00 0.68 0.00 0.00 175.17 175.27 3fjc h THR 69 N -1.53 0.00 -0.59 2.11 1.03 -2.01 0.34 112.91 112.27 3fjc h THR 69 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3fjc h THR 69 Cb 1.23 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.09 3fjc h THR 69 CO 0.37 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.35 3fjc n ASP 70 N -2.80 3.64 0.00 0.00 8.00 -1.26 -4.94 116.55 119.18 3fjc n ASP 70 Ca -0.02 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3fjc n ASP 70 Cb 0.15 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3fjc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjc n GLY 71 N 1.38 0.58 3.78 0.44 0.00 0.11 -4.56 105.19 106.92 3fjc n GLY 71 Ca 0.21 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3fjc n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjc s LEU 72 N 0.00 4.37 0.33 0.99 1.43 -1.26 -0.24 118.68 124.30 3fjc s LEU 72 Ca 0.00 0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 53.68 3fjc s LEU 72 Cb 0.00 -2.59 -0.10 0.00 0.03 0.00 0.00 46.19 43.53 3fjc s LEU 72 CO 0.00 0.18 0.97 -0.76 0.23 0.00 0.00 176.35 176.97 3fjc s LEU 73 N -0.25 4.35 0.28 1.79 1.43 -1.26 -0.13 118.68 124.89 3fjc s LEU 73 Ca 0.23 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 3fjc s LEU 73 Cb -0.16 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 42.08 3fjc s LEU 73 CO 0.11 -0.11 0.53 -0.72 0.23 0.00 0.00 176.35 176.39 3fjc s TYR 74 N -1.57 0.42 -0.21 0.29 1.13 0.59 -4.72 117.35 113.28 3fjc s TYR 74 Ca 0.50 -0.80 -0.07 0.00 -1.41 0.00 0.00 57.07 55.29 3fjc s TYR 74 Cb -0.20 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3fjc s TYR 74 CO 0.26 -1.11 0.06 0.20 -2.51 0.00 0.00 175.55 172.45 3fjc s GLY 75 N -3.06 1.83 -0.14 5.49 0.00 -1.24 -0.84 107.32 109.37 3fjc s GLY 75 Ca 0.22 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 3fjc s GLY 75 CO 0.11 0.27 0.03 -0.45 0.00 0.00 0.00 173.10 173.06 3fjc s SER 76 N 0.96 5.39 0.32 1.64 0.15 0.28 -4.87 113.70 117.57 3fjc s SER 76 Ca 0.04 0.09 0.10 0.00 0.70 0.00 0.00 55.95 56.88 3fjc s SER 76 Cb -0.14 -1.77 0.55 0.00 -1.71 0.00 0.00 66.02 62.96 3fjc s SER 76 CO 0.03 0.26 1.74 1.56 1.20 0.00 0.00 173.24 178.03 3fjc h GLN 77 N 6.02 0.08 -5.54 5.44 1.08 -1.91 0.53 115.11 120.80 3fjc h GLN 77 Ca -0.42 -0.04 -0.47 0.00 -1.45 0.00 0.00 58.65 56.27 3fjc h GLN 77 Cb 1.19 -0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.38 3fjc h GLN 77 CO 0.62 0.51 -0.80 0.95 -0.95 0.00 0.00 178.83 179.16 3fjc s THR 78 N -4.05 1.26 0.17 -0.54 -4.23 -1.26 -4.79 115.64 102.20 3fjc s THR 78 Ca -0.03 -1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 59.00 3fjc s THR 78 Cb 0.14 -1.15 -0.09 0.00 1.34 0.00 0.00 72.50 72.73 3fjc s THR 78 CO 0.75 -0.03 1.43 -2.16 -0.54 0.00 0.00 174.62 174.07 3fjc s PRO 79 N -1.38 4.30 0.27 3.99 0.04 -1.26 -4.93 135.00 136.02 3fjc s PRO 79 Ca 0.02 2.18 0.06 0.00 0.04 0.00 0.00 61.00 63.31 3fjc s PRO 79 Cb -0.09 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 3fjc s PRO 79 CO 0.02 -0.44 0.23 0.27 0.04 0.00 0.00 177.00 177.12 3fjc n ASN 80 N 3.41 -0.54 0.33 6.66 0.23 -1.26 -5.03 115.26 119.06 3fjc n ASN 80 Ca 0.10 -2.79 0.21 0.00 -0.53 0.00 0.00 54.58 51.57 3fjc n ASN 80 Cb 0.41 1.36 1.13 0.00 -2.08 0.00 0.00 39.78 40.60 3fjc n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjc h GLU 81 N 0.00 0.00 -0.00 -3.83 9.09 -1.99 -1.00 114.58 116.85 3fjc h GLU 81 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 3fjc h GLU 81 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 3fjc h GLU 81 CO 0.28 0.00 -0.08 0.39 0.05 0.00 0.00 179.01 179.65 3fjc n GLU 82 N -3.30 0.45 0.00 1.06 1.02 -1.26 -3.62 120.64 114.99 3fjc n GLU 82 Ca -0.03 -0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3fjc n GLU 82 Cb 0.08 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.20 3fjc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjc s LEU 84 N -2.41 4.26 0.08 0.00 1.43 -1.24 -4.42 118.68 116.38 3fjc s LEU 84 Ca 0.23 0.76 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 3fjc s LEU 84 Cb 0.19 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 3fjc s LEU 84 CO 0.51 0.00 -0.21 -0.36 0.23 0.00 0.00 176.35 176.52 3fjc s PHE 85 N 0.68 1.83 -0.50 0.29 0.08 -0.45 -0.92 117.98 118.99 3fjc s PHE 85 Ca 0.24 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.69 3fjc s PHE 85 Cb -0.15 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 3fjc s PHE 85 CO 0.09 0.16 0.69 -0.51 -0.10 0.00 0.00 175.22 175.55 3fjc s LEU 86 N -1.57 4.70 -0.21 -0.37 1.43 0.16 -0.88 118.68 121.93 3fjc s LEU 86 Ca 0.07 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 3fjc s LEU 86 Cb -0.09 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3fjc s LEU 86 CO 0.03 -0.94 0.80 -0.70 0.23 0.00 0.00 176.35 175.77 3fjc s GLU 87 N 2.94 4.22 0.08 1.70 2.12 -0.40 -1.56 118.70 127.79 3fjc s GLU 87 Ca 0.20 0.91 0.01 0.00 0.36 0.00 0.00 54.97 56.44 3fjc s GLU 87 Cb -0.17 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3fjc s GLU 87 CO 0.15 -0.42 -0.05 1.03 -0.54 0.00 0.00 175.26 175.42 3fjc s ARG 88 N 2.49 0.74 0.51 4.30 1.81 -0.59 -4.74 118.95 123.47 3fjc s ARG 88 Ca 0.35 -1.25 -0.17 0.00 -1.72 0.00 0.00 55.73 52.93 3fjc s ARG 88 Cb -0.16 -0.07 -0.08 0.00 -0.45 0.00 0.00 34.95 34.19 3fjc s ARG 88 CO 0.09 -0.04 0.99 -1.17 -0.68 0.00 0.00 175.30 174.49 3fjc s LEU 89 N -2.90 3.66 -0.09 2.53 2.96 0.34 -1.01 118.68 124.17 3fjc s LEU 89 Ca 0.09 1.61 -0.09 0.00 -0.22 0.00 0.00 54.13 55.51 3fjc s LEU 89 Cb 0.05 -4.52 0.03 0.00 0.50 0.00 0.00 46.19 42.25 3fjc s LEU 89 CO -0.06 -0.60 0.27 -0.70 -1.32 0.00 0.00 176.35 173.93 3fjc s GLU 90 N -3.95 0.33 -1.65 1.98 2.56 0.28 -4.81 118.70 113.46 3fjc s GLU 90 Ca 0.60 0.32 -0.17 0.00 0.00 0.00 0.00 54.97 55.71 3fjc s GLU 90 Cb -0.10 0.16 0.14 0.00 2.00 0.00 0.00 34.13 36.33 3fjc s GLU 90 CO 0.29 -0.05 0.80 0.39 -0.56 0.00 0.00 175.26 176.14 3fjc n GLU 91 N 2.81 -3.56 -1.99 4.30 1.02 -1.26 -0.98 120.64 120.98 3fjc n GLU 91 Ca -0.13 0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 57.33 3fjc n GLU 91 Cb 0.58 -5.18 -0.02 0.00 -0.02 0.00 0.00 31.44 26.81 3fjc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjc n ASN 92 N -2.65 -2.69 0.00 1.62 4.13 -1.26 -4.52 115.26 109.90 3fjc n ASN 92 Ca 0.07 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.59 3fjc n ASN 92 Cb 0.50 -2.46 0.00 0.00 -1.54 0.00 0.00 39.78 36.28 3fjc n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjc n HIS 93 N -2.51 -1.26 -2.43 3.10 -0.00 -0.15 -5.15 115.22 106.82 3fjc n HIS 93 Ca -0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.39 3fjc n HIS 93 Cb 0.46 0.40 0.07 0.00 -0.00 0.00 0.00 29.99 30.93 3fjc n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjc s TYR 94 N -1.81 2.54 -0.06 1.57 1.51 -0.45 -4.84 117.35 115.80 3fjc s TYR 94 Ca 0.00 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3fjc s TYR 94 Cb 0.00 -3.03 -0.03 0.00 -0.11 0.00 0.00 41.96 38.79 3fjc s TYR 94 CO 0.00 -1.34 -0.10 -0.80 -1.11 0.00 0.00 175.55 172.20 3fjc s ASN 95 N -4.55 4.37 0.19 2.29 -0.87 0.19 -0.55 114.94 116.00 3fjc s ASN 95 Ca 0.61 -0.10 0.09 0.00 -1.57 0.00 0.00 52.86 51.89 3fjc s ASN 95 Cb -0.09 -1.05 -0.04 0.00 -0.02 0.00 0.00 41.25 40.04 3fjc s ASN 95 CO 0.43 0.35 -0.18 0.42 -2.57 0.00 0.00 177.10 175.55 3fjc s THR 96 N -0.73 1.92 -0.19 1.60 -4.23 -0.18 -0.80 115.64 113.04 3fjc s THR 96 Ca 0.11 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3fjc s THR 96 Cb -0.11 -1.98 0.05 0.00 1.34 0.00 0.00 72.50 71.81 3fjc s THR 96 CO 0.01 -0.39 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.37 3fjc s TYR 97 N -2.33 1.61 -0.14 3.99 2.02 -1.26 -1.54 117.35 119.70 3fjc s TYR 97 Ca 0.20 -1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 55.70 3fjc s TYR 97 Cb -0.04 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3fjc s TYR 97 CO 0.08 -0.64 0.07 0.42 -1.57 0.00 0.00 175.55 173.90 3fjc s ILE 98 N 1.66 4.87 0.01 2.71 1.01 -0.60 -1.33 121.20 129.53 3fjc s ILE 98 Ca -0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 3fjc s ILE 98 Cb -0.17 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 3fjc s ILE 98 CO -0.07 0.55 1.93 -0.24 0.00 0.00 0.00 174.94 177.10 3fjc n SER 99 N 2.69 3.93 -0.12 3.58 2.88 -0.28 0.38 113.62 126.68 3fjc n SER 99 Ca -0.18 0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 58.20 3fjc n SER 99 Cb 0.53 -1.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.50 3fjc n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjc h LYS 100 N 9.91 0.54 -0.91 -1.46 3.64 -1.34 0.38 116.57 127.33 3fjc h LYS 100 Ca -0.49 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 58.94 3fjc h LYS 100 Cb 1.25 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 3fjc h LYS 100 CO 0.94 0.48 0.58 -0.22 -2.27 0.00 0.00 179.45 178.96 3fjc h LYS 101 N 0.47 0.76 -0.35 1.90 1.63 -1.77 -1.85 116.57 117.36 3fjc h LYS 101 Ca 0.13 -0.05 -0.21 0.00 -0.85 0.00 0.00 60.65 59.67 3fjc h LYS 101 Cb 0.11 -0.17 -0.14 0.00 -0.60 0.00 0.00 32.23 31.43 3fjc h LYS 101 CO -0.02 0.50 -0.28 0.72 -3.45 0.00 0.00 179.45 176.92 3fjc n HIS 102 N -4.57 1.15 -0.32 1.91 8.25 -1.07 -4.77 115.22 115.81 3fjc n HIS 102 Ca 0.17 -1.75 0.05 0.00 -0.26 0.00 0.00 57.72 55.93 3fjc n HIS 102 Cb 0.42 -0.45 0.24 0.00 1.12 0.00 0.00 29.99 31.32 3fjc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjc h ALA 103 N 1.24 1.53 0.00 -1.41 0.00 -0.04 -1.34 119.26 119.25 3fjc h ALA 103 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fjc h ALA 103 Cb 1.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fjc h ALA 103 CO 0.40 0.31 -0.04 1.05 0.00 0.00 0.00 179.25 180.97 3fjc h GLU 104 N 1.01 0.00 -0.54 0.00 9.09 -1.86 -1.67 114.58 120.61 3fjc h GLU 104 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3fjc h GLU 104 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3fjc h GLU 104 CO -0.17 0.04 0.00 1.63 0.05 0.00 0.00 179.01 180.55 3fjc n LYS 105 N -3.50 2.58 -3.73 1.06 5.02 -0.51 -4.98 118.16 114.10 3fjc n LYS 105 Ca -0.02 -2.42 -0.22 0.00 -2.02 0.00 0.00 58.31 53.62 3fjc n LYS 105 Cb 0.14 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 3fjc n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjc n ASN 106 N 1.54 -1.31 -4.64 4.39 4.13 -0.63 -4.94 115.26 113.80 3fjc n ASN 106 Ca 0.22 -0.86 -0.39 0.00 1.68 0.00 0.00 54.58 55.22 3fjc n ASN 106 Cb 0.61 -3.87 -0.07 0.00 -1.54 0.00 0.00 39.78 34.90 3fjc n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjc s TRP 107 N -3.71 3.32 0.35 3.10 0.52 -1.23 -4.47 118.94 116.83 3fjc s TRP 107 Ca 0.03 0.70 0.08 0.00 0.02 0.00 0.00 56.10 56.94 3fjc s TRP 107 Cb -0.01 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 3fjc s TRP 107 CO 0.83 -0.18 0.16 -0.06 0.02 0.00 0.00 176.95 177.71 3fjc s PHE 108 N 1.92 2.69 0.01 -1.98 0.40 -1.26 -1.13 117.98 118.63 3fjc s PHE 108 Ca 0.22 -0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 55.88 3fjc s PHE 108 Cb -0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 3fjc s PHE 108 CO 0.09 0.30 0.82 0.08 0.70 0.00 0.00 175.22 177.22 3fjc s VAL 109 N -2.45 4.82 -0.03 -0.44 1.01 -0.44 -4.64 120.40 118.23 3fjc s VAL 109 Ca 0.38 1.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 3fjc s VAL 109 Cb -0.02 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.26 3fjc s VAL 109 CO 0.23 0.28 0.63 -0.83 0.00 0.00 0.00 175.10 175.41 3fjc s GLY 110 N 0.43 -0.53 -0.10 4.51 0.00 -1.26 -4.43 107.32 105.94 3fjc s GLY 110 Ca 0.43 1.13 0.03 0.00 0.00 0.00 0.00 44.72 46.30 3fjc s GLY 110 CO 0.24 0.79 -0.20 1.08 0.00 0.00 0.00 173.10 175.00 3fjc s LEU 111 N -1.35 1.95 0.86 0.66 1.43 -0.42 -0.71 118.68 121.10 3fjc s LEU 111 Ca -0.10 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 3fjc s LEU 111 Cb -0.01 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 45.08 3fjc s LEU 111 CO 0.07 0.10 1.13 -0.54 0.23 0.00 0.00 176.35 177.35 3fjc s LYS 112 N 0.56 1.57 0.58 1.70 1.02 0.39 -4.45 119.74 121.11 3fjc s LYS 112 Ca -0.15 0.34 0.33 0.00 0.02 0.00 0.00 55.97 56.51 3fjc s LYS 112 Cb -0.17 -1.88 1.81 0.00 -0.52 0.00 0.00 37.83 37.07 3fjc s LYS 112 CO 0.05 -1.91 2.20 0.87 -0.92 0.00 0.00 175.35 175.64 3fjc h LYS 113 N -1.29 0.00 -0.36 1.68 1.57 -1.87 -1.23 116.57 115.06 3fjc h LYS 113 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3fjc h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3fjc h LYS 113 CO 0.62 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.81 3fjc n ASN 114 N -3.56 1.87 0.00 0.86 6.94 -1.26 -4.71 115.26 115.40 3fjc n ASN 114 Ca -0.02 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 3fjc n ASN 114 Cb 0.15 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 3fjc n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fjc n GLY 115 N 0.99 0.93 3.87 4.83 0.00 -0.46 -5.00 105.19 110.35 3fjc n GLY 115 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3fjc n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjc s SER 116 N -2.95 6.63 0.38 1.61 1.04 -1.26 -0.95 113.70 118.20 3fjc s SER 116 Ca 0.00 0.99 -0.25 0.00 0.48 0.00 0.00 55.95 57.17 3fjc s SER 116 Cb 0.00 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 3fjc s SER 116 CO 0.00 -0.14 1.10 0.00 0.98 0.00 0.00 173.24 175.18 3fjc s LYS 118 N -2.27 3.97 0.26 0.00 1.02 0.12 -4.83 119.74 118.01 3fjc s LYS 118 Ca 0.56 0.51 -0.27 0.00 0.02 0.00 0.00 55.97 56.79 3fjc s LYS 118 Cb -0.27 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.20 3fjc s LYS 118 CO 0.33 0.36 0.90 0.50 -0.92 0.00 0.00 175.35 176.52 3fjc s ARG 119 N -2.39 4.64 0.16 1.68 3.52 -1.26 -4.63 118.95 120.66 3fjc s ARG 119 Ca 0.44 1.31 -0.26 0.00 -0.13 0.00 0.00 55.73 57.09 3fjc s ARG 119 Cb -0.13 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 3fjc s ARG 119 CO 0.20 0.42 1.41 0.41 -0.81 0.00 0.00 175.30 176.92 3fjc n GLY 120 N 1.04 -2.28 0.30 8.12 0.00 0.67 -0.55 105.19 112.49 3fjc n GLY 120 Ca -0.01 1.08 0.21 0.00 0.00 0.00 0.00 46.02 47.29 3fjc n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fjc h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.86 -1.52 132.00 130.33 3fjc h PRO 121 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fjc h PRO 121 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3fjc h PRO 121 CO -0.87 0.00 -0.18 0.54 -0.21 0.00 0.00 178.00 177.28 3fjc n ARG 122 N -2.92 0.71 -3.71 1.05 5.12 0.28 -4.87 116.66 112.31 3fjc n ARG 122 Ca -0.03 -0.32 -0.22 0.00 -1.93 0.00 0.00 57.85 55.35 3fjc n ARG 122 Cb 0.07 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 3fjc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjc s THR 123 N -2.51 5.19 -0.08 0.55 -4.23 -0.57 -4.96 115.64 109.03 3fjc s THR 123 Ca 0.26 -0.74 -0.32 0.00 -1.18 0.00 0.00 61.69 59.71 3fjc s THR 123 Cb 0.20 -3.86 0.12 0.00 1.34 0.00 0.00 72.50 70.30 3fjc s THR 123 CO 0.50 -0.42 1.18 -1.38 -0.54 0.00 0.00 174.62 173.97 3fjc s HIS 124 N -2.11 -0.12 0.45 3.99 -3.43 -1.26 -4.80 115.29 108.00 3fjc s HIS 124 Ca 0.37 0.02 -0.25 0.00 -0.80 0.00 0.00 55.06 54.40 3fjc s HIS 124 Cb -0.09 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 3fjc s HIS 124 CO 0.32 -0.32 1.27 0.66 -2.00 0.00 0.00 174.74 174.67 3fjc n TYR 125 N -0.28 2.09 0.00 0.38 4.01 -1.26 -2.83 117.16 119.26 3fjc n TYR 125 Ca -0.04 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3fjc n TYR 125 Cb 0.60 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 3fjc n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjc n GLY 126 N 0.83 0.33 3.87 2.72 0.00 -1.26 -5.08 105.19 106.60 3fjc n GLY 126 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3fjc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjc s GLN 127 N -0.98 3.81 0.33 1.61 -0.21 -1.13 -4.98 119.66 118.11 3fjc s GLN 127 Ca 0.00 0.34 0.20 0.00 0.02 0.00 0.00 55.36 55.92 3fjc s GLN 127 Cb 0.00 -2.56 0.18 0.00 1.00 0.00 0.00 33.01 31.63 3fjc s GLN 127 CO 0.00 0.21 1.43 0.87 -2.12 0.00 0.00 175.29 175.68 3fjc h LYS 128 N 2.11 0.00 -0.19 2.91 1.79 -1.97 -3.30 116.57 117.92 3fjc h LYS 128 Ca -0.47 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.05 3fjc h LYS 128 Cb 1.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 3fjc h LYS 128 CO 0.67 0.17 0.14 0.00 -1.08 0.00 0.00 179.45 179.35 3fjc h ALA 129 N 1.81 2.16 -0.01 3.86 0.00 -1.94 -2.16 119.26 122.98 3fjc h ALA 129 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fjc h ALA 129 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fjc h ALA 129 CO 0.02 -0.24 -0.23 0.44 0.00 0.00 0.00 179.25 179.24 3fjc n ILE 130 N -4.44 0.00 -2.96 0.00 -5.35 -1.24 -1.30 119.36 104.07 3fjc n ILE 130 Ca 0.02 -0.14 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 3fjc n ILE 130 Cb 0.28 0.40 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 3fjc n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjc s LEU 131 N -2.45 4.09 0.19 7.28 1.43 -0.81 -4.43 118.68 123.98 3fjc s LEU 131 Ca 0.26 0.66 0.11 0.00 -1.03 0.00 0.00 54.13 54.13 3fjc s LEU 131 Cb 0.19 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 3fjc s LEU 131 CO 0.50 -0.59 -0.21 -0.36 0.23 0.00 0.00 176.35 175.92 3fjc s PHE 132 N 2.90 2.38 -0.18 0.29 0.40 0.02 -2.86 117.98 120.93 3fjc s PHE 132 Ca 0.32 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3fjc s PHE 132 Cb -0.14 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.25 3fjc s PHE 132 CO 0.12 0.50 -0.09 -1.17 0.70 0.00 0.00 175.22 175.28 3fjc s LEU 133 N -2.68 2.03 -0.11 -0.37 2.96 0.39 -0.64 118.68 120.26 3fjc s LEU 133 Ca 0.21 -0.78 -0.30 0.00 -0.22 0.00 0.00 54.13 53.04 3fjc s LEU 133 Cb -0.08 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 3fjc s LEU 133 CO 0.11 -0.15 1.17 -2.16 -1.32 0.00 0.00 176.35 174.00 3fjc s PRO 134 N 1.48 4.32 0.09 0.98 0.04 -1.26 -1.35 135.00 139.29 3fjc s PRO 134 Ca -0.00 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.71 3fjc s PRO 134 Cb -0.16 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3fjc s PRO 134 CO -0.08 -0.52 -0.14 -0.51 0.04 0.00 0.00 177.00 175.79 3fjc s LEU 135 N 2.63 2.87 0.64 -3.56 1.43 0.69 -4.91 118.68 118.47 3fjc s LEU 135 Ca 0.53 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 3fjc s LEU 135 Cb -0.22 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3fjc s LEU 135 CO 0.18 0.20 1.18 -2.84 0.23 0.00 0.00 176.35 175.29 3fjc s PRO 136 N -2.01 2.77 0.00 1.29 0.02 -1.26 0.15 135.00 135.96 3fjc s PRO 136 Ca 0.19 1.69 0.31 0.00 0.02 0.00 0.00 61.00 63.21 3fjc s PRO 136 Cb -0.11 -1.92 1.66 0.00 0.02 0.00 0.00 34.50 34.15 3fjc s PRO 136 CO 0.11 -1.33 2.09 1.33 -0.33 0.00 0.00 177.00 178.86