#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfj n SER 17 N 0.00 0.00 0.00 6.15 2.88 -1.26 -4.99 113.62 116.40 2pfj n SER 17 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pfj n SER 17 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2pfj n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pfj n GLY 18 N -0.05 -1.49 0.16 0.46 0.00 -1.26 0.81 105.19 103.82 2pfj n GLY 18 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 2pfj n GLY 18 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pfj h LEU 19 N 0.00 0.46 -0.97 0.99 3.38 -1.99 -2.07 115.31 115.10 2pfj h LEU 19 Ca 0.00 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 57.89 2pfj h LEU 19 Cb 0.00 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 2pfj h LEU 19 CO 0.00 0.61 0.57 -0.33 0.09 0.00 0.00 178.44 179.38 2pfj h GLU 20 N 0.30 0.72 -0.53 1.13 5.08 -1.49 0.69 114.58 120.48 2pfj h GLU 20 Ca 0.09 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2pfj h GLU 20 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2pfj h GLU 20 CO 0.01 0.48 0.05 -0.44 -1.00 0.00 0.00 179.01 178.10 2pfj h ASP 21 N 0.74 0.88 0.01 1.42 5.19 0.61 -2.79 116.42 122.49 2pfj h ASP 21 Ca 0.56 -0.28 -0.16 0.00 -0.62 0.00 0.00 57.03 56.52 2pfj h ASP 21 Cb 0.84 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.13 2pfj h ASP 21 CO -0.38 0.94 -0.65 0.11 -3.12 0.00 0.00 179.24 176.14 2pfj h LYS 22 N 0.78 0.42 0.00 3.56 1.57 -0.06 -2.91 116.57 119.92 2pfj h LYS 22 Ca 0.16 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 2pfj h LYS 22 Cb 0.46 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2pfj h LYS 22 CO 0.02 1.13 -0.32 0.28 -0.57 0.00 0.00 179.45 179.99 2pfj h VAL 23 N -0.10 0.68 -0.02 0.50 2.07 0.14 0.86 116.25 120.38 2pfj h VAL 23 Ca -0.09 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2pfj h VAL 23 Cb 1.37 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2pfj h VAL 23 CO 0.13 0.32 0.00 0.77 0.02 0.00 0.00 177.57 178.81 2pfj h SER 24 N 0.00 0.03 -0.42 0.57 4.64 -1.55 -1.99 113.55 114.83 2pfj h SER 24 Ca -0.00 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 2pfj h SER 24 Cb 0.98 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2pfj h SER 24 CO 0.04 0.29 -0.00 0.11 -0.87 0.00 0.00 176.83 176.40 2pfj h LYS 25 N -0.23 0.82 -0.28 4.77 1.57 -1.29 -2.40 116.57 119.53 2pfj h LYS 25 Ca 0.01 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2pfj h LYS 25 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2pfj h LYS 25 CO 0.00 0.82 -0.14 0.37 -0.57 0.00 0.00 179.45 179.94 2pfj h GLN 26 N 0.76 0.47 0.10 3.15 4.15 -0.79 -1.00 115.11 121.96 2pfj h GLN 26 Ca 0.15 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2pfj h GLN 26 Cb 0.46 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2pfj h GLN 26 CO 0.02 0.60 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.41 2pfj h LEU 27 N 0.44 -0.11 -2.45 -2.39 3.38 -1.18 -3.21 115.31 109.78 2pfj h LEU 27 Ca 0.08 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2pfj h LEU 27 Cb 0.50 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pfj h LEU 27 CO 0.03 0.48 0.10 -0.33 0.09 0.00 0.00 178.44 178.81 2pfj h GLU 28 N -0.78 0.00 0.00 1.13 5.08 -1.41 0.50 114.58 119.11 2pfj h GLU 28 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pfj h GLU 28 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2pfj h GLU 28 CO 0.02 0.00 0.00 1.03 -1.00 0.00 0.00 179.01 179.06 2pfj h SER 29 N 0.00 0.00 -0.10 1.42 0.87 -1.18 -2.70 113.55 111.87 2pfj h SER 29 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2pfj h SER 29 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2pfj h SER 29 CO -0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2pfj n LYS 30 N -2.88 1.43 0.00 2.24 5.02 0.18 -5.00 118.16 119.15 2pfj n LYS 30 Ca -0.02 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 2pfj n LYS 30 Cb 0.12 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2pfj n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pfj n GLY 31 N 0.18 2.84 3.74 0.72 0.00 -1.02 -5.00 105.19 106.66 2pfj n GLY 31 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2pfj n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfj s ILE 32 N -1.90 2.29 -0.51 -0.61 1.01 -1.24 -4.96 121.20 115.27 2pfj s ILE 32 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.69 2pfj s ILE 32 Cb 0.00 -3.15 0.06 0.00 0.01 0.00 0.00 42.46 39.38 2pfj s ILE 32 CO 0.00 0.03 0.65 -0.54 0.00 0.00 0.00 174.94 175.08 2pfj s LYS 33 N -0.01 3.13 0.39 2.79 1.02 -1.26 -4.32 119.74 121.48 2pfj s LYS 33 Ca 0.65 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.77 2pfj s LYS 33 Cb -0.46 -4.11 -0.02 0.00 -0.52 0.00 0.00 37.83 32.73 2pfj s LYS 33 CO 0.42 -1.26 0.60 -0.59 -0.92 0.00 0.00 175.35 173.60 2pfj s PHE 34 N 2.72 3.36 -0.24 3.18 -0.12 -1.26 -5.09 117.98 120.53 2pfj s PHE 34 Ca 0.16 0.28 -0.06 0.00 -0.05 0.00 0.00 56.93 57.26 2pfj s PHE 34 Cb -0.19 -2.09 -0.02 0.00 -0.63 0.00 0.00 43.02 40.10 2pfj s PHE 34 CO 0.12 -0.10 0.03 -1.21 -0.05 0.00 0.00 175.22 174.01 2pfj s GLU 35 N -4.42 3.47 -0.34 1.99 2.02 -1.26 -5.10 118.70 115.07 2pfj s GLU 35 Ca 0.44 -0.58 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 2pfj s GLU 35 Cb -0.10 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 2pfj s GLU 35 CO 0.37 -0.23 0.21 -0.47 0.02 0.00 0.00 175.26 175.16 2pfj s TYR 36 N 1.55 3.21 -1.24 1.61 5.04 -1.26 -4.61 117.35 121.65 2pfj s TYR 36 Ca 0.06 -0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2pfj s TYR 36 Cb -0.15 -2.43 0.01 0.00 0.35 0.00 0.00 41.96 39.74 2pfj s TYR 36 CO 0.01 -0.45 0.13 0.39 -1.34 0.00 0.00 175.55 174.29 2pfj n GLU 37 N 5.05 -2.57 0.01 4.97 1.02 -1.26 -4.90 120.64 122.96 2pfj n GLU 37 Ca -0.13 0.67 -0.21 0.00 -0.02 0.00 0.00 57.16 57.47 2pfj n GLU 37 Cb 0.49 -5.32 -0.14 0.00 -0.02 0.00 0.00 31.44 26.45 2pfj n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2pfj h GLU 38 N -0.27 0.25 -5.46 3.49 4.81 -2.02 -3.46 114.58 111.91 2pfj h GLU 38 Ca -0.37 -0.43 -0.63 0.00 -0.13 0.00 0.00 59.36 57.81 2pfj h GLU 38 Cb 1.26 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 30.68 2pfj h GLU 38 CO 0.43 1.20 -0.52 -1.58 -0.73 0.00 0.00 179.01 177.81 2pfj s TRP 39 N -2.48 3.40 -0.10 0.92 0.52 -1.26 -5.10 118.94 114.84 2pfj s TRP 39 Ca -0.20 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.21 2pfj s TRP 39 Cb 0.04 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2pfj s TRP 39 CO 0.77 0.41 -0.01 0.15 0.02 0.00 0.00 176.95 178.29 2pfj s LYS 40 N -0.20 3.07 -0.31 4.98 1.02 -1.26 -5.10 119.74 121.95 2pfj s LYS 40 Ca 0.09 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 2pfj s LYS 40 Cb -0.12 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2pfj s LYS 40 CO 0.01 0.63 0.12 0.08 -0.92 0.00 0.00 175.35 175.27 2pfj s VAL 41 N -0.68 4.28 0.53 3.17 1.01 -1.26 -5.09 120.40 122.36 2pfj s VAL 41 Ca 0.11 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 2pfj s VAL 41 Cb -0.12 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 2pfj s VAL 41 CO 0.02 0.04 1.03 -2.16 0.00 0.00 0.00 175.10 174.03 2pfj s PRO 42 N 1.55 3.66 0.04 2.72 0.04 -1.26 -5.08 135.00 136.67 2pfj s PRO 42 Ca 0.03 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2pfj s PRO 42 Cb -0.17 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.38 2pfj s PRO 42 CO 0.04 -0.53 0.82 1.52 0.04 0.00 0.00 177.00 178.89 2pfj s TYR 43 N -2.25 -0.38 0.03 0.56 -0.85 -1.26 -5.18 117.35 108.01 2pfj s TYR 43 Ca 0.65 0.23 0.01 0.00 -0.52 0.00 0.00 57.07 57.43 2pfj s TYR 43 Cb -0.15 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2pfj s TYR 43 CO 0.27 -0.63 0.08 0.08 -1.52 0.00 0.00 175.55 173.84 2pfj s VAL 44 N -3.27 4.66 -0.20 -3.49 1.01 -1.26 -5.10 120.40 112.75 2pfj s VAL 44 Ca 0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2pfj s VAL 44 Cb -0.01 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2pfj s VAL 44 CO -0.10 0.27 0.07 -0.63 0.00 0.00 0.00 175.10 174.71 2pfj s ILE 45 N -1.27 4.70 0.75 2.22 1.01 -1.26 -5.09 121.20 122.26 2pfj s ILE 45 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 2pfj s ILE 45 Cb -0.12 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2pfj s ILE 45 CO 0.17 0.42 1.08 -2.84 0.00 0.00 0.00 174.94 173.77 2pfj s PRO 46 N 0.74 2.48 0.70 2.79 0.02 -1.26 -4.96 135.00 135.51 2pfj s PRO 46 Ca 0.04 0.83 -0.16 0.00 0.02 0.00 0.00 61.00 61.72 2pfj s PRO 46 Cb -0.13 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.45 2pfj s PRO 46 CO 0.02 -1.39 1.14 0.00 -0.33 0.00 0.00 177.00 176.44 2pfj n ALA 47 N -3.31 0.38 -3.03 -1.55 0.00 -1.26 -5.03 120.51 106.71 2pfj n ALA 47 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 2pfj n ALA 47 Cb 0.55 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 2pfj n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pfj s SER 48 N -1.61 -0.02 0.06 0.00 1.04 -1.26 -5.16 113.70 106.76 2pfj s SER 48 Ca 0.77 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.80 2pfj s SER 48 Cb -0.35 0.26 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 2pfj s SER 48 CO 0.46 -0.47 0.57 0.20 0.98 0.00 0.00 173.24 174.99 2pfj s ASN 49 N -1.67 7.05 0.21 7.02 0.02 -1.26 -5.09 114.94 121.22 2pfj s ASN 49 Ca -0.10 1.25 -0.04 0.00 -1.02 0.00 0.00 52.86 52.94 2pfj s ASN 49 Cb -0.04 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.84 2pfj s ASN 49 CO -0.00 0.25 0.21 -1.00 0.02 0.00 0.00 177.10 176.58 2pfj s HIS 50 N -0.96 0.93 -0.00 2.20 3.76 -1.26 -5.18 115.29 114.78 2pfj s HIS 50 Ca 0.29 -1.20 0.02 0.00 -0.15 0.00 0.00 55.06 54.03 2pfj s HIS 50 Cb -0.19 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.13 2pfj s HIS 50 CO 0.19 -0.72 -0.06 0.95 -0.85 0.00 0.00 174.74 174.24 2pfj s THR 51 N -4.11 0.51 -0.07 1.30 -4.23 -1.26 -5.14 115.64 102.63 2pfj s THR 51 Ca 0.34 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 2pfj s THR 51 Cb 0.05 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 2pfj s THR 51 CO 0.10 0.14 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.71 2pfj s TYR 52 N -0.17 2.73 -0.43 3.99 5.04 -1.26 -5.09 117.35 122.15 2pfj s TYR 52 Ca 0.02 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2pfj s TYR 52 Cb -0.03 -1.69 0.12 0.00 0.35 0.00 0.00 41.96 40.71 2pfj s TYR 52 CO -0.00 0.06 0.20 0.99 -1.34 0.00 0.00 175.55 175.45 2pfj s THR 53 N -0.39 2.94 0.39 4.34 2.01 -1.26 -5.10 115.64 118.57 2pfj s THR 53 Ca 0.04 -2.45 -0.26 0.00 0.31 0.00 0.00 61.69 59.32 2pfj s THR 53 Cb -0.12 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2pfj s THR 53 CO 0.02 -0.71 1.24 -2.16 -0.69 0.00 0.00 174.62 172.33 2pfj s PRO 54 N 0.69 4.08 0.34 4.92 0.04 -1.26 -4.91 135.00 138.90 2pfj s PRO 54 Ca 0.12 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.24 2pfj s PRO 54 Cb -0.22 -2.79 0.70 0.00 0.04 0.00 0.00 34.50 32.24 2pfj s PRO 54 CO -0.05 -0.36 1.91 -0.44 0.04 0.00 0.00 177.00 178.11 2pfj h ASP 55 N 2.81 0.74 -3.63 6.66 3.32 -1.90 -3.45 116.42 120.97 2pfj h ASP 55 Ca -0.49 0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.34 2pfj h ASP 55 Cb 1.24 -0.14 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 2pfj h ASP 55 CO 0.63 0.44 -0.65 -0.36 -1.72 0.00 0.00 179.24 177.59 2pfj s PHE 56 N -5.75 -0.08 -0.28 4.55 0.40 -0.41 -5.00 117.98 111.41 2pfj s PHE 56 Ca -0.10 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2pfj s PHE 56 Cb 0.21 -0.05 0.08 0.00 0.51 0.00 0.00 43.02 43.76 2pfj s PHE 56 CO 0.79 -0.08 -0.02 -1.17 0.70 0.00 0.00 175.22 175.44 2pfj s LEU 57 N 0.51 3.49 0.86 -0.37 2.96 -1.26 -0.57 118.68 124.30 2pfj s LEU 57 Ca -0.04 -1.61 -0.11 0.00 -0.22 0.00 0.00 54.13 52.15 2pfj s LEU 57 Cb -0.06 -1.39 0.11 0.00 0.50 0.00 0.00 46.19 45.35 2pfj s LEU 57 CO -0.02 -0.29 1.10 -0.76 -1.32 0.00 0.00 176.35 175.06 2pfj s LEU 58 N 1.18 2.67 0.40 -0.68 1.43 -0.60 -4.94 118.68 118.13 2pfj s LEU 58 Ca 0.01 1.81 0.28 0.00 -1.03 0.00 0.00 54.13 55.20 2pfj s LEU 58 Cb -0.19 -4.32 1.16 0.00 0.03 0.00 0.00 46.19 42.87 2pfj s LEU 58 CO -0.09 -2.57 1.84 1.55 0.23 0.00 0.00 176.35 177.32 2pfj h PRO 59 N -1.50 0.00 -0.52 1.29 0.13 -1.98 -2.70 132.00 126.73 2pfj h PRO 59 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 2pfj h PRO 59 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 2pfj h PRO 59 CO 0.50 0.00 0.36 -0.91 -0.23 0.00 0.00 178.00 177.71 2pfj h ASN 60 N 0.00 0.17 0.00 1.44 -0.26 -1.91 -3.46 115.58 111.56 2pfj h ASN 60 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2pfj h ASN 60 Cb 0.44 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2pfj h ASN 60 CO 0.00 0.10 0.00 0.61 -1.06 0.00 0.00 177.43 177.08 2pfj n GLY 61 N -1.58 0.81 3.70 2.83 0.00 -1.02 -0.95 105.19 109.00 2pfj n GLY 61 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2pfj n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfj s ILE 62 N -2.00 4.98 -0.09 -0.61 1.01 -1.26 -4.65 121.20 118.58 2pfj s ILE 62 Ca 0.00 1.58 -0.16 0.00 0.00 0.00 0.00 60.65 62.06 2pfj s ILE 62 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2pfj s ILE 62 CO 0.00 0.18 0.43 -0.36 0.00 0.00 0.00 174.94 175.19 2pfj s PHE 63 N 1.16 3.57 -0.12 3.97 0.40 0.16 -1.56 117.98 125.56 2pfj s PHE 63 Ca 0.40 0.87 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 2pfj s PHE 63 Cb -0.18 -2.44 0.01 0.00 0.51 0.00 0.00 43.02 40.92 2pfj s PHE 63 CO 0.18 0.32 -0.21 0.08 0.70 0.00 0.00 175.22 176.29 2pfj s VAL 64 N 0.10 1.93 -0.22 -0.44 1.01 0.26 -0.36 120.40 122.69 2pfj s VAL 64 Ca 0.24 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2pfj s VAL 64 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2pfj s VAL 64 CO 0.10 0.53 0.04 -0.70 0.00 0.00 0.00 175.10 175.07 2pfj s GLU 65 N 0.73 3.68 -0.15 2.72 2.56 0.23 -1.29 118.70 127.18 2pfj s GLU 65 Ca -0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 54.97 54.20 2pfj s GLU 65 Cb -0.16 -3.21 -0.04 0.00 2.00 0.00 0.00 34.13 32.72 2pfj s GLU 65 CO 0.01 -0.06 0.53 0.95 -0.56 0.00 0.00 175.26 176.13 2pfj s THR 66 N 1.23 5.13 -0.07 -1.70 -4.23 -1.26 -1.14 115.64 113.59 2pfj s THR 66 Ca 0.04 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2pfj s THR 66 Cb -0.15 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 69.85 2pfj s THR 66 CO 0.03 0.24 -0.08 0.00 -0.54 0.00 0.00 174.62 174.26 2pfj s ALA 67 N 1.15 1.07 0.00 3.99 0.00 -0.97 -4.97 121.76 122.03 2pfj s ALA 67 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2pfj s ALA 67 Cb -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2pfj s ALA 67 CO 0.11 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2pfj n GLY 68 N 4.15 0.53 3.70 0.00 0.00 -1.26 -0.39 105.19 111.92 2pfj n GLY 68 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2pfj n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pfj s LEU 69 N 0.00 4.35 -0.40 0.99 0.20 -1.26 -4.58 118.68 117.98 2pfj s LEU 69 Ca 0.00 2.05 0.01 0.00 0.69 0.00 0.00 54.13 56.88 2pfj s LEU 69 Cb 0.00 -3.57 0.12 0.00 -0.43 0.00 0.00 46.19 42.31 2pfj s LEU 69 CO 0.00 -0.56 0.19 0.86 -0.29 0.00 0.00 176.35 176.55 2pfj s TRP 70 N 1.48 2.05 0.33 5.38 -0.00 -1.26 -5.12 118.94 121.81 2pfj s TRP 70 Ca 0.60 -2.30 0.00 0.00 -0.00 0.00 0.00 56.10 54.41 2pfj s TRP 70 Cb -0.30 -1.93 0.06 0.00 -0.00 0.00 0.00 33.47 31.30 2pfj s TRP 70 CO 0.28 -0.82 0.45 0.39 -0.00 0.00 0.00 176.95 177.25 2pfj n GLU 71 N 3.93 0.33 0.02 5.86 1.02 -1.26 -4.83 120.64 125.70 2pfj n GLU 71 Ca 0.05 -1.27 -0.12 0.00 -0.02 0.00 0.00 57.16 55.81 2pfj n GLU 71 Cb 0.37 -0.29 -0.05 0.00 -0.02 0.00 0.00 31.44 31.45 2pfj n GLU 71 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2pfj h SER 72 N -0.25 -1.13 -0.51 1.62 0.87 -2.00 -1.69 113.55 110.45 2pfj h SER 72 Ca -0.15 0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2pfj h SER 72 Cb 0.56 0.47 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 2pfj h SER 72 CO 0.16 -0.40 0.05 0.44 -0.53 0.00 0.00 176.83 176.56 2pfj h ASP 73 N -0.46 -0.11 -0.70 6.23 3.32 -2.00 -2.28 116.42 120.43 2pfj h ASP 73 Ca 0.08 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pfj h ASP 73 Cb 0.59 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2pfj h ASP 73 CO -0.35 -0.03 0.44 0.44 -1.72 0.00 0.00 179.24 178.02 2pfj h ASP 74 N 0.17 0.82 -0.09 6.45 3.32 -1.71 0.88 116.42 126.26 2pfj h ASP 74 Ca 0.26 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2pfj h ASP 74 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2pfj h ASP 74 CO -0.38 0.62 -0.05 0.03 -1.72 0.00 0.00 179.24 177.74 2pfj h ARG 75 N 0.95 -0.04 -0.88 3.56 3.08 -0.88 -1.42 114.38 118.75 2pfj h ARG 75 Ca 0.25 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.35 2pfj h ARG 75 Cb -0.07 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 2pfj h ARG 75 CO -0.05 -0.02 0.56 0.87 -1.07 0.00 0.00 179.97 180.26 2pfj h LYS 76 N -0.04 1.02 0.05 0.04 1.57 -0.83 -0.68 116.57 117.70 2pfj h LYS 76 Ca 0.05 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2pfj h LYS 76 Cb 0.12 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 2pfj h LYS 76 CO -0.12 0.68 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.73 2pfj h LYS 77 N 1.05 -0.65 0.00 3.15 3.64 -0.13 0.45 116.57 124.09 2pfj h LYS 77 Ca 0.37 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2pfj h LYS 77 Cb 0.09 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2pfj h LYS 77 CO -0.15 -0.43 -0.06 1.25 -2.27 0.00 0.00 179.45 177.79 2pfj h HIS 78 N -0.67 0.00 0.11 1.91 2.76 -0.63 0.14 115.15 118.77 2pfj h HIS 78 Ca 0.02 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.92 2pfj h HIS 78 Cb 0.72 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.68 2pfj h HIS 78 CO -0.46 0.06 -1.19 -0.07 -1.30 0.00 0.00 177.93 174.97 2pfj h LEU 79 N 0.00 0.51 -0.01 0.26 3.38 -0.13 -2.49 115.31 116.82 2pfj h LEU 79 Ca -0.00 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2pfj h LEU 79 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pfj h LEU 79 CO 0.01 1.37 -0.02 -0.07 0.09 0.00 0.00 178.44 179.81 2pfj h LEU 80 N 0.12 0.04 -0.64 1.67 3.38 0.10 -2.49 115.31 117.50 2pfj h LEU 80 Ca -0.13 -0.56 0.09 0.00 0.09 0.00 0.00 57.88 57.37 2pfj h LEU 80 Cb 1.89 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 2pfj h LEU 80 CO 0.20 0.59 0.26 0.40 0.09 0.00 0.00 178.44 179.99 2pfj h ILE 81 N -0.51 0.79 -0.75 1.22 2.04 -0.87 0.21 117.51 119.64 2pfj h ILE 81 Ca 0.00 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2pfj h ILE 81 Cb 0.59 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2pfj h ILE 81 CO 0.01 0.08 0.50 0.03 0.00 0.00 0.00 178.15 178.77 2pfj h ARG 82 N 0.46 0.93 -0.24 2.37 3.08 -1.44 0.67 114.38 120.21 2pfj h ARG 82 Ca 0.32 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.17 2pfj h ARG 82 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2pfj h ARG 82 CO -0.30 0.62 -0.45 0.93 -1.07 0.00 0.00 179.97 179.70 2pfj h GLU 83 N 0.96 0.60 0.00 0.04 5.08 -0.54 -3.27 114.58 117.44 2pfj h GLU 83 Ca 0.29 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2pfj h GLU 83 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pfj h GLU 83 CO -0.08 0.93 -1.01 1.04 -1.00 0.00 0.00 179.01 178.89 2pfj n GLN 84 N -4.01 0.36 -3.18 2.33 6.02 0.55 -4.48 117.38 114.97 2pfj n GLN 84 Ca -0.02 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2pfj n GLN 84 Cb 0.55 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 2pfj n GLN 84 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2pfj n HIS 85 N -2.13 -0.55 0.29 1.08 8.25 0.22 -4.98 115.22 117.41 2pfj n HIS 85 Ca 0.01 -3.46 0.19 0.00 -0.26 0.00 0.00 57.72 54.21 2pfj n HIS 85 Cb 0.46 -0.22 1.01 0.00 1.12 0.00 0.00 29.99 32.36 2pfj n HIS 85 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2pfj h PRO 86 N 4.09 0.00 0.00 -0.41 0.11 -1.78 -1.57 132.00 132.44 2pfj h PRO 86 Ca 0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 2pfj h PRO 86 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2pfj h PRO 86 CO 0.45 0.00 -0.70 0.93 -0.21 0.00 0.00 178.00 178.47 2pfj h GLU 87 N 0.00 0.00 -6.54 1.05 5.08 -1.93 -3.46 114.58 108.78 2pfj h GLU 87 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2pfj h GLU 87 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2pfj h GLU 87 CO 0.00 0.38 0.52 -0.51 -1.00 0.00 0.00 179.01 178.40 2pfj s LEU 88 N -6.22 4.41 -0.54 1.33 1.43 -0.59 -4.98 118.68 113.52 2pfj s LEU 88 Ca 0.02 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 2pfj s LEU 88 Cb 0.08 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.85 2pfj s LEU 88 CO 0.76 -0.37 0.45 -0.62 0.23 0.00 0.00 176.35 176.79 2pfj s ASP 89 N 0.65 5.94 -0.21 2.29 2.15 -1.26 -5.00 116.67 121.22 2pfj s ASP 89 Ca 0.55 -2.03 -0.04 0.00 0.43 0.00 0.00 52.55 51.46 2pfj s ASP 89 Cb -0.29 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2pfj s ASP 89 CO 0.31 -0.71 -0.05 -0.63 -0.17 0.00 0.00 175.17 173.92 2pfj s ILE 90 N 1.19 3.32 0.16 4.11 1.01 -1.26 -0.66 121.20 129.07 2pfj s ILE 90 Ca 0.07 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.28 2pfj s ILE 90 Cb -0.25 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2pfj s ILE 90 CO -0.01 0.43 -0.17 -0.13 0.00 0.00 0.00 174.94 175.07 2pfj s ARG 91 N 1.41 1.22 -0.11 2.79 0.52 0.52 -4.75 118.95 120.55 2pfj s ARG 91 Ca 0.05 -1.39 0.01 0.00 -0.52 0.00 0.00 55.73 53.88 2pfj s ARG 91 Cb -0.14 -1.19 -0.02 0.00 0.52 0.00 0.00 34.95 34.12 2pfj s ARG 91 CO -0.03 0.23 -0.13 0.42 0.02 0.00 0.00 175.30 175.81 2pfj s ILE 92 N -2.21 3.11 -0.46 1.52 1.01 -0.88 -0.60 121.20 122.70 2pfj s ILE 92 Ca 0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2pfj s ILE 92 Cb -0.05 -2.28 0.11 0.00 0.01 0.00 0.00 42.46 40.25 2pfj s ILE 92 CO 0.06 0.54 0.32 -0.69 0.00 0.00 0.00 174.94 175.17 2pfj s VAL 93 N 0.01 4.24 0.31 2.92 1.01 -0.29 -1.17 120.40 127.43 2pfj s VAL 93 Ca -0.04 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 2pfj s VAL 93 Cb -0.14 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2pfj s VAL 93 CO 0.04 -0.70 0.91 -0.36 0.00 0.00 0.00 175.10 174.99 2pfj s PHE 94 N 1.39 3.66 0.22 5.22 0.40 -0.16 -2.28 117.98 126.42 2pfj s PHE 94 Ca 0.05 1.70 -0.09 0.00 -0.60 0.00 0.00 56.93 57.99 2pfj s PHE 94 Cb -0.25 -2.86 0.21 0.00 0.51 0.00 0.00 43.02 40.63 2pfj s PHE 94 CO 0.00 0.21 1.87 1.03 0.70 0.00 0.00 175.22 179.03 2pfj h SER 95 N 3.12 0.83 -0.84 1.36 0.87 -0.97 0.31 113.55 118.23 2pfj h SER 95 Ca -0.47 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2pfj h SER 95 Cb 1.19 -0.19 -0.20 0.00 -0.44 0.00 0.00 62.40 62.76 2pfj h SER 95 CO 0.65 0.58 -0.32 -0.55 -0.53 0.00 0.00 176.83 176.65 2pfj s SER 96 N -5.83 -1.36 0.00 6.23 0.15 -1.26 -4.44 113.70 107.20 2pfj s SER 96 Ca -0.13 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.59 2pfj s SER 96 Cb 0.16 1.82 0.62 0.00 -1.71 0.00 0.00 66.02 66.91 2pfj s SER 96 CO 0.78 -0.23 1.05 -1.54 1.20 0.00 0.00 173.24 174.50 2pfj n SER 97 N 5.09 0.00 0.13 5.45 3.41 -1.26 -1.54 113.62 124.91 2pfj n SER 97 Ca 0.07 -0.38 0.02 0.00 -0.26 0.00 0.00 58.87 58.32 2pfj n SER 97 Cb 0.56 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2pfj n SER 97 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pfj h ARG 98 N 0.00 0.00 -6.47 4.33 3.08 -1.96 -1.84 114.38 111.53 2pfj h ARG 98 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2pfj h ARG 98 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.16 2pfj h ARG 98 CO 0.00 0.52 0.16 2.41 -1.07 0.00 0.00 179.97 181.99 2pfj n THR 99 N -3.22 1.86 -3.22 2.04 -1.04 -0.59 -4.66 114.28 105.45 2pfj n THR 99 Ca 0.02 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.05 61.21 2pfj n THR 99 Cb 0.75 -1.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 2pfj n THR 99 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2pfj s LYS 100 N -1.41 4.09 0.40 -2.82 -0.14 -1.26 -0.61 119.74 117.98 2pfj s LYS 100 Ca 0.60 0.66 0.16 0.00 -1.36 0.00 0.00 55.97 56.03 2pfj s LYS 100 Cb -0.71 -2.83 1.03 0.00 -1.68 0.00 0.00 37.83 33.64 2pfj s LYS 100 CO 0.59 0.39 1.83 -0.07 -0.76 0.00 0.00 175.35 177.33 2pfj h LEU 101 N 3.27 0.48 -7.35 3.17 3.38 -1.75 -3.45 115.31 113.05 2pfj h LEU 101 Ca -0.48 0.06 0.20 0.00 0.09 0.00 0.00 57.88 57.75 2pfj h LEU 101 Cb 1.19 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 2pfj h LEU 101 CO 0.66 0.17 0.59 -0.72 0.09 0.00 0.00 178.44 179.22 2pfj s TYR 102 N -5.51 -0.17 -0.28 1.13 -0.85 -1.26 -4.85 117.35 105.56 2pfj s TYR 102 Ca -0.09 -0.03 -0.25 0.00 -0.52 0.00 0.00 57.07 56.17 2pfj s TYR 102 Cb 0.23 0.58 -0.11 0.00 0.38 0.00 0.00 41.96 43.05 2pfj s TYR 102 CO 0.79 -0.59 1.13 1.63 -1.52 0.00 0.00 175.55 176.99 2pfj n LYS 103 N -0.38 0.00 -3.96 -3.49 4.76 -1.26 -0.77 118.16 113.05 2pfj n LYS 103 Ca -0.07 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.07 2pfj n LYS 103 Cb 0.61 -0.85 -0.01 0.00 -1.84 0.00 0.00 35.03 32.94 2pfj n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pfj n GLY 104 N 3.72 -0.48 3.83 0.72 0.00 -1.26 -4.98 105.19 106.74 2pfj n GLY 104 Ca 0.28 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 2pfj n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pfj s SER 105 N -4.04 6.92 0.49 1.61 0.15 0.05 -4.98 113.70 113.90 2pfj s SER 105 Ca 0.19 1.17 0.32 0.00 0.70 0.00 0.00 55.95 58.33 2pfj s SER 105 Cb -0.08 -2.32 1.39 0.00 -1.71 0.00 0.00 66.02 63.29 2pfj s SER 105 CO 0.91 0.15 1.96 1.55 1.20 0.00 0.00 173.24 179.01 2pfj h PRO 106 N 3.84 0.00 -5.70 5.44 0.13 -1.93 -3.45 132.00 130.33 2pfj h PRO 106 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 2pfj h PRO 106 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2pfj h PRO 106 CO 0.65 0.00 -0.23 0.99 -0.23 0.00 0.00 178.00 179.18 2pfj s THR 107 N -3.64 5.21 0.30 1.56 2.01 -1.26 -5.07 115.64 114.76 2pfj s THR 107 Ca 0.01 0.75 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 2pfj s THR 107 Cb 0.09 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2pfj s THR 107 CO 0.49 0.41 0.56 -0.94 -0.69 0.00 0.00 174.62 174.45 2pfj s SER 108 N 0.17 6.42 0.32 3.53 1.04 -1.26 -2.18 113.70 121.73 2pfj s SER 108 Ca 0.22 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.43 2pfj s SER 108 Cb -0.15 -2.13 0.94 0.00 0.10 0.00 0.00 66.02 64.78 2pfj s SER 108 CO 0.08 -0.22 1.66 1.88 0.98 0.00 0.00 173.24 177.62 2pfj h TYR 109 N 1.52 0.71 0.75 5.02 0.05 -0.87 -0.80 116.97 123.35 2pfj h TYR 109 Ca -0.48 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 2pfj h TYR 109 Cb 1.19 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 2pfj h TYR 109 CO 0.57 -0.18 -0.48 0.78 -1.05 0.00 0.00 178.16 177.79 2pfj h GLY 110 N 0.29 -1.32 -0.44 3.88 0.00 -1.60 -1.25 103.07 102.63 2pfj h GLY 110 Ca 0.66 0.55 0.17 0.00 0.00 0.00 0.00 47.33 48.71 2pfj h GLY 110 CO -0.62 -0.44 -0.07 0.83 0.00 0.00 0.00 176.54 176.24 2pfj h GLU 111 N -1.16 0.06 -0.78 4.80 5.08 -1.53 -0.07 114.58 120.98 2pfj h GLU 111 Ca -0.10 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2pfj h GLU 111 Cb 0.94 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2pfj h GLU 111 CO 0.09 0.04 0.48 0.35 -1.00 0.00 0.00 179.01 178.97 2pfj h PHE 112 N 0.06 0.90 -0.12 4.33 3.57 -0.85 -2.43 116.94 122.39 2pfj h PHE 112 Ca 0.40 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 2pfj h PHE 112 Cb 0.68 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2pfj h PHE 112 CO -0.49 0.48 0.03 0.00 -2.23 0.00 0.00 178.31 176.10 2pfj h GLU 114 N -0.01 0.93 0.00 0.00 4.81 -1.41 0.34 114.58 119.25 2pfj h GLU 114 Ca 0.04 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2pfj h GLU 114 Cb 0.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2pfj h GLU 114 CO 0.00 0.94 0.00 -0.22 -0.73 0.00 0.00 179.01 179.00 2pfj h LYS 115 N 0.85 0.00 -0.00 1.92 3.64 -1.30 -3.02 116.57 118.67 2pfj h LYS 115 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2pfj h LYS 115 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2pfj h LYS 115 CO 0.03 0.00 -0.47 0.72 -2.27 0.00 0.00 179.45 177.46 2pfj n HIS 116 N -2.57 0.00 -0.19 1.91 8.25 -0.84 -5.00 115.22 116.78 2pfj n HIS 116 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2pfj n HIS 116 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2pfj n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pfj n GLY 117 N 1.21 0.67 3.62 -1.41 0.00 0.06 -5.04 105.19 104.30 2pfj n GLY 117 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2pfj n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfj s ILE 118 N -2.29 4.17 0.01 -0.61 1.01 0.99 -4.97 121.20 119.52 2pfj s ILE 118 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 2pfj s ILE 118 Cb 0.00 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 2pfj s ILE 118 CO 0.00 -0.62 1.51 -0.54 0.00 0.00 0.00 174.94 175.29 2pfj s LYS 119 N 4.27 4.24 0.05 2.79 3.01 -1.26 -4.16 119.74 128.67 2pfj s LYS 119 Ca 0.54 2.11 -0.01 0.00 -1.01 0.00 0.00 55.97 57.59 2pfj s LYS 119 Cb -0.14 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.01 2pfj s LYS 119 CO 0.25 -0.67 -0.02 -0.59 0.51 0.00 0.00 175.35 174.83 2pfj s PHE 120 N 2.71 0.49 0.31 3.18 -0.12 -1.26 -2.06 117.98 121.22 2pfj s PHE 120 Ca 0.68 -1.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.53 2pfj s PHE 120 Cb -0.34 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 2pfj s PHE 120 CO 0.28 -0.38 0.37 0.00 -0.05 0.00 0.00 175.22 175.45 2pfj s ALA 121 N -3.80 1.02 -0.07 1.99 0.00 -0.32 -4.97 121.76 115.61 2pfj s ALA 121 Ca 0.06 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.43 2pfj s ALA 121 Cb 0.07 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.44 2pfj s ALA 121 CO -0.10 -0.73 -0.19 0.34 0.00 0.00 0.00 175.76 175.08 2pfj s ASP 122 N -3.24 3.56 0.00 0.00 -1.08 -1.26 -0.99 116.67 113.66 2pfj s ASP 122 Ca 0.34 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 2pfj s ASP 122 Cb 0.01 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.48 2pfj s ASP 122 CO 0.20 0.26 0.00 0.29 0.52 0.00 0.00 175.17 176.44 2pfj n LYS 123 N 2.86 0.00 -3.93 4.34 5.02 0.11 -4.77 118.16 121.80 2pfj n LYS 123 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2pfj n LYS 123 Cb 0.52 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 2pfj n LYS 123 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pfj s LEU 124 N 0.00 1.92 -0.29 -0.35 1.02 -1.26 -4.99 118.68 114.73 2pfj s LEU 124 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 54.13 53.51 2pfj s LEU 124 Cb 0.00 0.36 -0.00 0.00 0.02 0.00 0.00 46.19 46.56 2pfj s LEU 124 CO 0.00 -0.32 1.38 -0.63 0.02 0.00 0.00 176.35 176.79 2pfj s ILE 125 N -1.38 4.03 0.89 -0.59 1.01 -1.26 -4.89 121.20 119.01 2pfj s ILE 125 Ca -0.15 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 2pfj s ILE 125 Cb -0.09 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.44 2pfj s ILE 125 CO 0.00 -0.45 1.09 -2.65 0.00 0.00 0.00 174.94 172.93 2pfj n PRO 126 N 7.42 -0.26 -0.05 2.79 -0.02 -1.26 -4.95 135.00 138.68 2pfj n PRO 126 Ca 0.16 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 2pfj n PRO 126 Cb 0.46 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2pfj n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pfj h ALA 127 N -1.57 0.17 -0.79 3.55 0.00 -2.00 -3.21 119.26 115.41 2pfj h ALA 127 Ca -0.44 -0.29 0.19 0.00 0.00 0.00 0.00 54.91 54.37 2pfj h ALA 127 Cb 1.28 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2pfj h ALA 127 CO 0.42 -0.01 0.09 0.93 0.00 0.00 0.00 179.25 180.69 2pfj h GLU 128 N -0.11 0.15 -0.11 0.00 5.08 -1.95 0.43 114.58 118.07 2pfj h GLU 128 Ca 0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2pfj h GLU 128 Cb 0.59 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2pfj h GLU 128 CO 0.02 0.10 -0.52 -1.49 -1.00 0.00 0.00 179.01 176.13 2pfj h TRP 129 N 0.15 -1.54 0.00 4.33 4.06 -1.94 -0.14 115.95 120.87 2pfj h TRP 129 Ca 0.46 0.06 -0.07 0.00 2.06 0.00 0.00 58.89 61.39 2pfj h TRP 129 Cb 0.84 0.69 -0.01 0.00 -1.00 0.00 0.00 29.16 29.68 2pfj h TRP 129 CO -0.36 -0.53 -0.33 0.82 -3.56 0.00 0.00 178.44 174.48 2pfj h ILE 130 N -0.57 1.21 0.00 1.49 2.04 -1.03 -2.39 117.51 118.26 2pfj h ILE 130 Ca 0.03 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2pfj h ILE 130 Cb 0.66 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2pfj h ILE 130 CO -0.40 0.32 0.00 1.17 0.00 0.00 0.00 178.15 179.24 2pfj n LYS 131 N -4.10 0.03 -1.19 2.37 4.81 0.13 -4.87 118.16 115.35 2pfj n LYS 131 Ca -0.02 0.12 -0.32 0.00 -0.87 0.00 0.00 58.31 57.22 2pfj n LYS 131 Cb 0.38 -1.55 0.11 0.00 0.02 0.00 0.00 35.03 33.99 2pfj n LYS 131 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2pfj s GLU 132 N -3.03 1.90 0.56 1.64 2.02 -0.13 -5.02 118.70 116.65 2pfj s GLU 132 Ca 0.11 1.46 -0.10 0.00 0.02 0.00 0.00 54.97 56.46 2pfj s GLU 132 Cb 0.15 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 2pfj s GLU 132 CO 0.45 -1.95 0.94 -1.25 0.02 0.00 0.00 175.26 173.47 2pfj s PRO 133 N -4.48 3.61 0.35 0.39 0.04 -1.26 -4.91 135.00 128.73 2pfj s PRO 133 Ca 0.67 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 2pfj s PRO 133 Cb -0.22 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 2pfj s PRO 133 CO 0.52 -0.42 1.32 0.21 0.04 0.00 0.00 177.00 178.67 2pfj s LYS 134 N -4.94 4.27 0.03 4.56 2.20 -1.26 -4.93 119.74 119.67 2pfj s LYS 134 Ca 0.53 2.23 0.07 0.00 -0.36 0.00 0.00 55.97 58.44 2pfj s LYS 134 Cb -0.11 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2pfj s LYS 134 CO 0.49 -0.27 -0.21 0.15 -0.36 0.00 0.00 175.35 175.15 2pfj s LYS 135 N -1.90 1.48 0.18 4.03 1.02 -0.12 -5.05 119.74 119.38 2pfj s LYS 135 Ca 0.51 -0.92 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 2pfj s LYS 135 Cb -0.40 -1.57 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 2pfj s LYS 135 CO 0.53 0.41 1.49 -1.21 -0.92 0.00 0.00 175.35 175.64 2pfj s GLU 136 N -1.05 4.26 -0.14 1.68 0.41 -1.26 -4.49 118.70 118.11 2pfj s GLU 136 Ca 0.08 2.27 -0.03 0.00 -0.41 0.00 0.00 54.97 56.88 2pfj s GLU 136 Cb -0.09 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2pfj s GLU 136 CO 0.01 -0.51 -0.04 0.08 -0.49 0.00 0.00 175.26 174.32 2pfj s VAL 137 N 0.79 3.92 -1.26 2.63 1.01 -1.26 -5.02 120.40 121.21 2pfj s VAL 137 Ca 0.65 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2pfj s VAL 137 Cb -0.41 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.39 2pfj s VAL 137 CO 0.34 0.51 1.61 -0.81 0.00 0.00 0.00 175.10 176.76 2pfj n PRO 138 N 3.27 3.30 0.20 2.72 -0.04 -1.26 -4.73 135.00 138.46 2pfj n PRO 138 Ca -0.18 -3.57 0.15 0.00 -0.04 0.00 0.00 63.50 59.86 2pfj n PRO 138 Cb 0.53 -3.22 0.68 0.00 -0.04 0.00 0.00 33.50 31.44 2pfj n PRO 138 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2pfj h PHE 139 N 7.17 0.00 -0.96 0.54 -1.00 -1.97 0.63 116.94 121.35 2pfj h PHE 139 Ca 0.38 0.00 0.28 0.00 2.81 0.00 0.00 57.97 61.44 2pfj h PHE 139 Cb 0.85 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.27 2pfj h PHE 139 CO 1.25 0.00 0.48 0.22 -1.61 0.00 0.00 178.31 178.65 2pfj h ASP 140 N 0.00 0.41 0.25 2.17 3.58 -2.05 -2.21 116.42 118.57 2pfj h ASP 140 Ca 0.00 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2pfj h ASP 140 Cb 0.24 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2pfj h ASP 140 CO 0.00 -0.08 -0.42 0.54 -2.88 0.00 0.00 179.24 176.40 2pfj n ARG 141 N -5.06 0.59 -3.79 0.28 1.74 0.21 -4.96 116.66 105.66 2pfj n ARG 141 Ca 0.27 -0.38 -0.23 0.00 -0.77 0.00 0.00 57.85 56.74 2pfj n ARG 141 Cb 0.84 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.75 2pfj n ARG 141 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pfj s LEU 142 N -2.68 3.12 -0.06 0.55 1.43 -0.83 -5.14 118.68 115.07 2pfj s LEU 142 Ca 0.18 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2pfj s LEU 142 Cb 0.18 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.78 2pfj s LEU 142 CO 0.61 -0.76 -0.09 -1.59 0.23 0.00 0.00 176.35 174.75 2pfj s LYS 143 N -4.12 1.32 0.61 1.70 0.00 -1.26 -4.97 119.74 113.03 2pfj s LYS 143 Ca 0.42 -0.27 -0.09 0.00 0.00 0.00 0.00 55.97 56.04 2pfj s LYS 143 Cb -0.01 -1.19 -0.01 0.00 0.00 0.00 0.00 37.83 36.62 2pfj s LYS 143 CO 0.25 -0.05 0.98 0.50 0.00 0.00 0.00 175.35 177.03 2pfj s ARG 144 N 0.88 3.20 0.00 1.78 3.52 -1.26 -5.15 118.95 121.92 2pfj s ARG 144 Ca -0.11 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2pfj s ARG 144 Cb -0.15 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 2pfj s ARG 144 CO 0.01 -0.68 0.00 1.17 -0.81 0.00 0.00 175.30 174.99