#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfj n GLY 18 N 0.00 -1.93 0.15 0.46 0.00 -1.26 0.71 105.19 103.32 2pfj n GLY 18 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 0.42 -0.94 0.99 3.38 -2.05 -2.30 115.31 114.81 2pfj h LEU 19 Ca 0.02 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 57.82 2pfj h LEU 19 Cb 0.06 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 2pfj h LEU 19 CO -0.15 0.72 0.51 -0.33 0.09 0.00 0.00 178.44 179.28 2pfj h GLU 20 N 0.13 0.54 -0.63 1.13 5.08 -1.56 0.76 114.58 120.03 2pfj h GLU 20 Ca 0.05 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2pfj h GLU 20 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2pfj h GLU 20 CO 0.03 0.36 0.06 -0.44 -1.00 0.00 0.00 179.01 178.02 2pfj h ASP 21 N 0.55 1.04 0.08 1.42 5.19 0.42 -2.84 116.42 122.28 2pfj h ASP 21 Ca 0.58 -0.28 -0.17 0.00 -0.62 0.00 0.00 57.03 56.54 2pfj h ASP 21 Cb 1.04 -0.28 0.02 0.00 0.18 0.00 0.00 39.33 40.29 2pfj h ASP 21 CO -0.46 1.06 -0.71 0.11 -3.12 0.00 0.00 179.24 176.11 2pfj h LYS 22 N 0.98 0.35 0.00 3.56 1.57 -0.20 -2.93 116.57 119.90 2pfj h LYS 22 Ca 0.19 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 2pfj h LYS 22 Cb 0.49 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2pfj h LYS 22 CO 0.02 1.18 -0.39 0.28 -0.57 0.00 0.00 179.45 179.97 2pfj h VAL 23 N -0.25 0.89 -0.11 0.50 2.07 0.28 0.81 116.25 120.44 2pfj h VAL 23 Ca -0.11 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2pfj h VAL 23 Cb 1.49 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2pfj h VAL 23 CO 0.14 0.38 0.02 0.77 0.02 0.00 0.00 177.57 178.90 2pfj h SER 24 N 0.00 0.18 -0.64 0.57 4.64 -1.57 -1.92 113.55 114.81 2pfj h SER 24 Ca -0.00 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2pfj h SER 24 Cb 0.95 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 2pfj h SER 24 CO 0.05 0.40 0.15 0.11 -0.87 0.00 0.00 176.83 176.68 2pfj h LYS 25 N -0.04 1.03 -0.02 4.77 1.57 -1.30 -2.45 116.57 120.12 2pfj h LYS 25 Ca 0.03 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2pfj h LYS 25 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2pfj h LYS 25 CO 0.00 0.93 -0.18 0.37 -0.57 0.00 0.00 179.45 180.00 2pfj h GLN 26 N 0.95 0.03 0.00 3.15 4.15 -0.78 -0.90 115.11 121.70 2pfj h GLN 26 Ca 0.20 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2pfj h GLN 26 Cb 0.36 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2pfj h GLN 26 CO 0.00 0.21 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.05 2pfj h LEU 27 N 0.03 -0.00 -2.65 -2.39 3.38 -1.16 -3.25 115.31 109.27 2pfj h LEU 27 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2pfj h LEU 27 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2pfj h LEU 27 CO 0.02 0.90 0.02 -0.33 0.09 0.00 0.00 178.44 179.14 2pfj h GLU 28 N -0.90 0.00 0.00 1.13 5.08 -1.39 0.17 114.58 118.67 2pfj h GLU 28 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pfj h GLU 28 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2pfj h GLU 28 CO 0.00 0.00 -0.01 1.03 -1.00 0.00 0.00 179.01 179.03 2pfj h SER 29 N 0.00 0.00 -0.17 1.42 0.87 -1.19 -2.77 113.55 111.70 2pfj h SER 29 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2pfj h SER 29 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2pfj h SER 29 CO -0.00 0.01 0.00 0.29 -0.53 0.00 0.00 176.83 176.60 2pfj n LYS 30 N -3.17 2.30 0.00 2.24 5.02 0.58 -5.00 118.16 120.13 2pfj n LYS 30 Ca -0.02 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 2pfj n LYS 30 Cb 0.14 -1.16 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 2.72 3.74 0.72 0.00 -1.05 -4.99 105.19 106.51 2pfj n GLY 31 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.32 2.47 -0.53 -0.61 1.01 -1.22 -4.97 121.20 115.03 2pfj s ILE 32 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 2pfj s ILE 32 Cb 0.00 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.29 2pfj s ILE 32 CO 0.00 0.05 0.69 -0.54 0.00 0.00 0.00 174.94 175.14 2pfj s LYS 33 N -0.09 3.15 0.44 2.79 1.02 -1.26 -4.31 119.74 121.47 2pfj s LYS 33 Ca 0.63 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 2pfj s LYS 33 Cb -0.44 -4.11 -0.02 0.00 -0.52 0.00 0.00 37.83 32.74 2pfj s LYS 33 CO 0.42 -1.31 0.68 -0.59 -0.92 0.00 0.00 175.35 173.63 2pfj s PHE 34 N 2.88 3.39 -0.25 3.18 -0.12 -1.26 -5.09 117.98 120.70 2pfj s PHE 34 Ca 0.17 0.44 -0.05 0.00 -0.05 0.00 0.00 56.93 57.44 2pfj s PHE 34 Cb -0.19 -2.22 -0.01 0.00 -0.63 0.00 0.00 43.02 39.98 2pfj s PHE 34 CO 0.12 -0.23 0.01 -1.21 -0.05 0.00 0.00 175.22 173.86 2pfj s GLU 35 N -4.56 3.33 -0.34 1.99 2.02 -1.26 -5.09 118.70 114.79 2pfj s GLU 35 Ca 0.46 -0.68 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 2pfj s GLU 35 Cb -0.10 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2pfj s GLU 35 CO 0.40 -0.27 0.20 -0.47 0.02 0.00 0.00 175.26 175.13 2pfj s TYR 36 N 1.50 3.21 -1.37 1.61 5.04 -1.26 -4.61 117.35 121.48 2pfj s TYR 36 Ca 0.05 -0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 54.03 2pfj s TYR 36 Cb -0.15 -2.42 0.04 0.00 0.35 0.00 0.00 41.96 39.78 2pfj s TYR 36 CO -0.00 -0.49 0.47 0.39 -1.34 0.00 0.00 175.55 174.57 2pfj n GLU 37 N 5.03 -3.76 -0.03 4.97 1.02 -1.26 -4.89 120.64 121.71 2pfj n GLU 37 Ca -0.13 0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 57.45 2pfj n GLU 37 Cb 0.48 -5.41 -0.13 0.00 -0.02 0.00 0.00 31.44 26.37 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 -0.99 0.17 -5.40 3.49 4.81 -2.02 -3.47 114.58 111.17 2pfj h GLU 38 Ca -0.45 -0.28 -0.62 0.00 -0.13 0.00 0.00 59.36 57.88 2pfj h GLU 38 Cb 1.31 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.69 2pfj h GLU 38 CO 0.53 1.14 -0.46 -1.58 -0.73 0.00 0.00 179.01 177.90 2pfj s TRP 39 N -2.47 3.47 -0.05 0.92 0.52 -1.26 -5.10 118.94 114.97 2pfj s TRP 39 Ca -0.24 0.42 -0.00 0.00 0.02 0.00 0.00 56.10 56.30 2pfj s TRP 39 Cb 0.06 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 2pfj s TRP 39 CO 0.70 0.40 -0.00 0.15 0.02 0.00 0.00 176.95 178.22 2pfj s LYS 40 N 0.01 2.89 -0.25 4.98 1.02 -1.26 -5.09 119.74 122.04 2pfj s LYS 40 Ca 0.11 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 2pfj s LYS 40 Cb -0.12 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2pfj s LYS 40 CO 0.00 0.67 0.00 0.08 -0.92 0.00 0.00 175.35 175.19 2pfj s VAL 41 N -0.97 3.62 0.52 3.17 1.01 -1.26 -5.10 120.40 121.39 2pfj s VAL 41 Ca 0.16 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2pfj s VAL 41 Cb -0.11 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 2pfj s VAL 41 CO 0.06 0.30 0.99 -2.16 0.00 0.00 0.00 175.10 174.29 2pfj s PRO 42 N 1.49 3.92 0.04 2.72 0.04 -1.26 -5.08 135.00 136.87 2pfj s PRO 42 Ca 0.04 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 2pfj s PRO 42 Cb -0.15 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.35 2pfj s PRO 42 CO -0.01 -0.29 0.84 1.52 0.04 0.00 0.00 177.00 179.10 2pfj s TYR 43 N -2.60 -0.36 0.03 0.56 -0.85 -1.26 -5.17 117.35 107.70 2pfj s TYR 43 Ca 0.59 0.19 0.01 0.00 -0.52 0.00 0.00 57.07 57.34 2pfj s TYR 43 Cb -0.10 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 2pfj s TYR 43 CO 0.31 -0.63 0.08 0.08 -1.52 0.00 0.00 175.55 173.87 2pfj s VAL 44 N -3.25 4.67 -0.25 -3.49 1.01 -1.26 -5.10 120.40 112.73 2pfj s VAL 44 Ca 0.05 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2pfj s VAL 44 Cb -0.01 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2pfj s VAL 44 CO -0.09 0.27 0.13 -0.63 0.00 0.00 0.00 175.10 174.78 2pfj s ILE 45 N -1.27 4.86 0.90 2.22 1.01 -1.26 -5.10 121.20 122.57 2pfj s ILE 45 Ca 0.25 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 2pfj s ILE 45 Cb -0.12 -3.28 0.13 0.00 0.01 0.00 0.00 42.46 39.20 2pfj s ILE 45 CO 0.17 0.32 1.09 -2.84 0.00 0.00 0.00 174.94 173.68 2pfj s PRO 46 N 1.48 1.19 0.69 2.79 0.02 -1.26 -4.95 135.00 134.96 2pfj s PRO 46 Ca 0.06 0.76 -0.16 0.00 0.02 0.00 0.00 61.00 61.68 2pfj s PRO 46 Cb -0.15 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.58 2pfj s PRO 46 CO 0.06 -2.27 1.24 0.00 -0.33 0.00 0.00 177.00 175.70 2pfj s ALA 47 N -2.95 2.22 0.03 -1.55 0.00 -1.26 -5.04 121.76 113.20 2pfj s ALA 47 Ca 0.64 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 53.57 2pfj s ALA 47 Cb -0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2pfj s ALA 47 CO 0.57 -1.76 0.11 -1.54 0.00 0.00 0.00 175.76 173.14 2pfj s SER 48 N -1.73 0.13 0.19 0.00 1.04 -1.26 -5.16 113.70 106.91 2pfj s SER 48 Ca 0.78 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 2pfj s SER 48 Cb -0.33 0.22 -0.08 0.00 0.10 0.00 0.00 66.02 65.93 2pfj s SER 48 CO 0.43 -0.47 0.67 0.20 0.98 0.00 0.00 173.24 175.05 2pfj s ASN 49 N -1.90 7.02 0.25 7.02 0.02 -1.26 -5.09 114.94 121.00 2pfj s ASN 49 Ca -0.08 1.34 -0.07 0.00 -1.02 0.00 0.00 52.86 53.03 2pfj s ASN 49 Cb -0.03 -2.39 -0.02 0.00 0.02 0.00 0.00 41.25 38.83 2pfj s ASN 49 CO -0.03 0.08 0.35 -1.00 0.02 0.00 0.00 177.10 176.52 2pfj s HIS 50 N -1.46 0.77 -0.01 2.20 3.76 -1.26 -5.17 115.29 114.12 2pfj s HIS 50 Ca 0.40 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2pfj s HIS 50 Cb -0.17 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.40 2pfj s HIS 50 CO 0.21 -0.89 -0.04 0.95 -0.85 0.00 0.00 174.74 174.12 2pfj s THR 51 N -3.91 0.33 -0.07 1.30 -4.23 -1.26 -5.15 115.64 102.65 2pfj s THR 51 Ca 0.30 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 2pfj s THR 51 Cb 0.02 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2pfj s THR 51 CO 0.12 0.11 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.75 2pfj s TYR 52 N 0.12 2.86 -0.35 3.99 5.04 -1.26 -5.10 117.35 122.65 2pfj s TYR 52 Ca -0.01 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 2pfj s TYR 52 Cb -0.04 -1.71 0.10 0.00 0.35 0.00 0.00 41.96 40.65 2pfj s TYR 52 CO -0.00 0.21 0.08 0.99 -1.34 0.00 0.00 175.55 175.49 2pfj s THR 53 N -0.61 2.58 0.39 4.34 2.01 -1.26 -5.09 115.64 118.01 2pfj s THR 53 Ca 0.09 -2.18 -0.26 0.00 0.31 0.00 0.00 61.69 59.66 2pfj s THR 53 Cb -0.11 -2.82 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 2pfj s THR 53 CO 0.02 -0.56 1.17 -2.16 -0.69 0.00 0.00 174.62 172.39 2pfj s PRO 54 N 1.00 4.10 0.41 4.92 0.04 -1.26 -4.91 135.00 139.30 2pfj s PRO 54 Ca 0.08 1.85 0.13 0.00 0.04 0.00 0.00 61.00 63.11 2pfj s PRO 54 Cb -0.20 -2.72 0.98 0.00 0.04 0.00 0.00 34.50 32.60 2pfj s PRO 54 CO -0.06 -0.28 1.94 -0.44 0.04 0.00 0.00 177.00 178.19 2pfj h ASP 55 N 2.73 0.44 -3.58 6.66 3.32 -1.92 -3.45 116.42 120.62 2pfj h ASP 55 Ca -0.49 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.37 2pfj h ASP 55 Cb 1.23 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.42 2pfj h ASP 55 CO 0.63 0.25 -0.55 -0.36 -1.72 0.00 0.00 179.24 177.49 2pfj s PHE 56 N -5.46 -0.20 -0.30 4.55 0.40 -0.40 -4.99 117.98 111.58 2pfj s PHE 56 Ca -0.08 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 2pfj s PHE 56 Cb 0.20 0.00 0.08 0.00 0.51 0.00 0.00 43.02 43.82 2pfj s PHE 56 CO 0.76 -0.14 0.01 -1.17 0.70 0.00 0.00 175.22 175.39 2pfj s LEU 57 N 0.69 3.49 0.94 -0.37 2.96 -1.26 -0.38 118.68 124.74 2pfj s LEU 57 Ca -0.05 -1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 52.05 2pfj s LEU 57 Cb -0.07 -1.34 0.16 0.00 0.50 0.00 0.00 46.19 45.45 2pfj s LEU 57 CO -0.04 -0.33 1.09 -0.76 -1.32 0.00 0.00 176.35 175.00 2pfj s LEU 58 N 1.21 2.18 0.32 -0.68 1.43 -0.57 -4.93 118.68 117.64 2pfj s LEU 58 Ca 0.04 1.68 0.26 0.00 -1.03 0.00 0.00 54.13 55.08 2pfj s LEU 58 Cb -0.19 -4.02 0.91 0.00 0.03 0.00 0.00 46.19 42.93 2pfj s LEU 58 CO -0.11 -3.00 1.77 1.55 0.23 0.00 0.00 176.35 176.79 2pfj h PRO 59 N -1.80 0.00 -0.36 1.29 0.13 -1.98 -2.87 132.00 126.41 2pfj h PRO 59 Ca -0.50 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2pfj h PRO 59 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2pfj h PRO 59 CO 0.50 0.00 0.37 -0.91 -0.23 0.00 0.00 178.00 177.73 2pfj h ASN 60 N 0.00 0.00 0.00 1.44 -0.26 -1.90 -3.46 115.58 111.40 2pfj h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2pfj h ASN 60 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 2pfj h ASN 60 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2pfj n GLY 61 N -1.48 0.53 3.70 2.83 0.00 -1.08 -1.27 105.19 108.41 2pfj n GLY 61 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.08 4.87 -0.09 -0.61 1.01 -1.26 -4.67 121.20 118.37 2pfj s ILE 62 Ca 0.00 1.90 -0.16 0.00 0.00 0.00 0.00 60.65 62.39 2pfj s ILE 62 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2pfj s ILE 62 CO 0.00 0.11 0.41 -0.36 0.00 0.00 0.00 174.94 175.10 2pfj s PHE 63 N 1.45 3.57 -0.13 3.97 0.40 -0.16 -1.51 117.98 125.56 2pfj s PHE 63 Ca 0.47 0.85 0.02 0.00 -0.60 0.00 0.00 56.93 57.66 2pfj s PHE 63 Cb -0.19 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 40.94 2pfj s PHE 63 CO 0.21 0.34 -0.20 0.08 0.70 0.00 0.00 175.22 176.34 2pfj s VAL 64 N 0.05 1.93 -0.25 -0.44 1.01 0.49 -0.52 120.40 122.67 2pfj s VAL 64 Ca 0.23 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2pfj s VAL 64 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2pfj s VAL 64 CO 0.10 0.52 0.08 -0.70 0.00 0.00 0.00 175.10 175.10 2pfj s GLU 65 N 0.88 3.71 -0.12 2.72 2.56 0.26 -1.27 118.70 127.44 2pfj s GLU 65 Ca -0.06 -0.45 -0.22 0.00 0.00 0.00 0.00 54.97 54.24 2pfj s GLU 65 Cb -0.15 -3.35 -0.03 0.00 2.00 0.00 0.00 34.13 32.60 2pfj s GLU 65 CO -0.02 -0.15 0.65 0.95 -0.56 0.00 0.00 175.26 176.12 2pfj s THR 66 N 1.54 5.05 -0.05 -1.70 -4.23 -1.26 -1.00 115.64 113.99 2pfj s THR 66 Ca 0.06 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 2pfj s THR 66 Cb -0.15 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.73 2pfj s THR 66 CO 0.04 0.21 -0.03 0.00 -0.54 0.00 0.00 174.62 174.31 2pfj s ALA 67 N 1.18 0.64 0.00 3.99 0.00 -0.89 -4.96 121.76 121.72 2pfj s ALA 67 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2pfj s ALA 67 Cb -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2pfj s ALA 67 CO 0.14 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2pfj n GLY 68 N 4.36 0.10 3.69 0.00 0.00 -1.26 -0.34 105.19 111.74 2pfj n GLY 68 Ca -0.20 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 4.30 -0.35 0.99 0.20 -1.26 -4.59 118.68 117.97 2pfj s LEU 69 Ca 0.00 2.03 0.02 0.00 0.69 0.00 0.00 54.13 56.87 2pfj s LEU 69 Cb 0.00 -3.56 0.11 0.00 -0.43 0.00 0.00 46.19 42.31 2pfj s LEU 69 CO 0.00 -0.68 0.10 0.86 -0.29 0.00 0.00 176.35 176.34 2pfj s TRP 70 N 2.35 2.72 0.53 5.38 -0.00 -1.26 -5.12 118.94 123.55 2pfj s TRP 70 Ca 0.62 -2.44 0.06 0.00 -0.00 0.00 0.00 56.10 54.34 2pfj s TRP 70 Cb -0.29 -2.33 0.09 0.00 -0.00 0.00 0.00 33.47 30.94 2pfj s TRP 70 CO 0.25 -0.89 0.74 0.39 -0.00 0.00 0.00 176.95 177.44 2pfj n GLU 71 N 4.36 0.49 0.03 5.86 1.02 -1.26 -4.88 120.64 126.27 2pfj n GLU 71 Ca 0.02 -2.62 -0.11 0.00 -0.02 0.00 0.00 57.16 54.43 2pfj n GLU 71 Cb 0.41 -0.30 -0.04 0.00 -0.02 0.00 0.00 31.44 31.49 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 -0.06 -0.89 -0.38 1.62 0.87 -2.00 -1.25 113.55 111.46 2pfj h SER 72 Ca -0.25 0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2pfj h SER 72 Cb 1.07 0.37 -0.08 0.00 -0.44 0.00 0.00 62.40 63.33 2pfj h SER 72 CO 0.33 -0.35 -0.16 0.44 -0.53 0.00 0.00 176.83 176.56 2pfj h ASP 73 N -0.41 -0.54 -0.86 6.23 3.32 -1.99 -1.87 116.42 120.29 2pfj h ASP 73 Ca 0.08 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.27 2pfj h ASP 73 Cb 0.52 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 2pfj h ASP 73 CO -0.29 -0.19 0.57 0.44 -1.72 0.00 0.00 179.24 178.05 2pfj h ASP 74 N -0.08 0.99 0.54 6.45 3.32 -1.70 0.20 116.42 126.12 2pfj h ASP 74 Ca 0.19 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2pfj h ASP 74 Cb 0.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2pfj h ASP 74 CO -0.43 0.71 -0.41 0.03 -1.72 0.00 0.00 179.24 177.42 2pfj h ARG 75 N 1.17 -0.89 -0.90 3.56 3.08 -0.86 -1.81 114.38 117.73 2pfj h ARG 75 Ca 0.32 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.64 2pfj h ARG 75 Cb -0.13 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.00 2pfj h ARG 75 CO -0.07 -0.59 0.41 0.87 -1.07 0.00 0.00 179.97 179.52 2pfj h LYS 76 N -0.92 0.42 0.22 0.04 1.57 -0.68 -0.56 116.57 116.65 2pfj h LYS 76 Ca -0.06 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pfj h LYS 76 Cb 0.78 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2pfj h LYS 76 CO 0.01 0.28 -0.51 -0.22 -0.57 0.00 0.00 179.45 178.44 2pfj h LYS 77 N 0.44 -0.78 -0.10 3.15 3.64 -0.26 0.65 116.57 123.30 2pfj h LYS 77 Ca 0.55 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 60.02 2pfj h LYS 77 Cb 1.03 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2pfj h LYS 77 CO -0.51 -0.52 0.07 0.45 -2.27 0.00 0.00 179.45 176.68 2pfj h HIS 78 N -0.81 0.00 0.05 1.91 3.86 -0.44 0.27 115.15 119.99 2pfj h HIS 78 Ca -0.02 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.94 2pfj h HIS 78 Cb 0.78 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.27 2pfj h HIS 78 CO -0.39 0.00 -1.08 -0.07 0.86 0.00 0.00 177.93 177.25 2pfj h LEU 79 N 0.00 0.68 0.01 2.43 3.38 -0.01 -2.32 115.31 119.48 2pfj h LEU 79 Ca 0.05 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pfj h LEU 79 Cb 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pfj h LEU 79 CO -0.00 1.40 -0.00 -0.07 0.09 0.00 0.00 178.44 179.86 2pfj h LEU 80 N 0.25 -0.01 -0.70 1.67 3.38 0.17 -2.23 115.31 117.84 2pfj h LEU 80 Ca -0.12 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.49 2pfj h LEU 80 Cb 1.74 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.41 2pfj h LEU 80 CO 0.20 0.47 0.30 0.40 0.09 0.00 0.00 178.44 179.89 2pfj h ILE 81 N -0.49 0.74 -0.79 1.22 2.04 -0.61 0.93 117.51 120.55 2pfj h ILE 81 Ca -0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2pfj h ILE 81 Cb 0.48 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2pfj h ILE 81 CO 0.00 0.09 0.46 0.03 0.00 0.00 0.00 178.15 178.73 2pfj h ARG 82 N 0.48 1.08 -0.41 2.37 3.08 -1.35 0.69 114.38 120.31 2pfj h ARG 82 Ca 0.37 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 2pfj h ARG 82 Cb 0.49 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2pfj h ARG 82 CO -0.34 0.77 -0.00 0.93 -1.07 0.00 0.00 179.97 180.26 2pfj h GLU 83 N 1.08 0.66 0.00 0.04 5.08 -0.49 -3.26 114.58 117.69 2pfj h GLU 83 Ca 0.28 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pfj h GLU 83 Cb -0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pfj h GLU 83 CO -0.05 0.68 -0.99 1.04 -1.00 0.00 0.00 179.01 178.68 2pfj n GLN 84 N -4.24 0.40 -3.16 2.33 6.02 0.17 -4.42 117.38 114.47 2pfj n GLN 84 Ca 0.02 0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 2pfj n GLN 84 Cb 0.27 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.22 -0.42 0.21 1.08 8.25 0.23 -4.98 115.22 117.37 2pfj n HIS 85 Ca 0.01 -3.51 0.13 0.00 -0.26 0.00 0.00 57.72 54.09 2pfj n HIS 85 Cb 0.48 -0.23 0.69 0.00 1.12 0.00 0.00 29.99 32.05 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 3.70 0.00 0.00 -0.41 0.11 -1.77 0.43 132.00 134.06 2pfj h PRO 86 Ca 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2pfj h PRO 86 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2pfj h PRO 86 CO 0.46 0.00 -0.56 0.93 -0.21 0.00 0.00 178.00 178.62 2pfj h GLU 87 N 0.00 0.00 -6.59 1.05 5.08 -1.94 -3.46 114.58 108.72 2pfj h GLU 87 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2pfj h GLU 87 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2pfj h GLU 87 CO 0.00 0.01 0.42 -0.51 -1.00 0.00 0.00 179.01 177.93 2pfj s LEU 88 N -5.75 4.48 -0.58 1.33 1.43 0.14 -4.97 118.68 114.75 2pfj s LEU 88 Ca 0.03 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 2pfj s LEU 88 Cb 0.07 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.85 2pfj s LEU 88 CO 0.74 -0.17 0.49 -0.62 0.23 0.00 0.00 176.35 177.02 2pfj s ASP 89 N 0.08 6.02 -0.22 2.29 2.15 -1.26 -5.01 116.67 120.72 2pfj s ASP 89 Ca 0.49 -2.15 -0.04 0.00 0.43 0.00 0.00 52.55 51.27 2pfj s ASP 89 Cb -0.26 -2.09 -0.01 0.00 -0.30 0.00 0.00 42.92 40.25 2pfj s ASP 89 CO 0.32 -0.68 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.99 2pfj s ILE 90 N 1.01 3.56 0.14 4.11 1.01 -1.26 -0.99 121.20 128.79 2pfj s ILE 90 Ca 0.09 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2pfj s ILE 90 Cb -0.23 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2pfj s ILE 90 CO -0.02 0.41 -0.20 -0.13 0.00 0.00 0.00 174.94 175.00 2pfj s ARG 91 N 1.46 1.22 -0.11 2.79 0.52 0.33 -4.74 118.95 120.42 2pfj s ARG 91 Ca 0.05 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2pfj s ARG 91 Cb -0.14 -1.39 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 2pfj s ARG 91 CO -0.02 0.30 -0.08 0.42 0.02 0.00 0.00 175.30 175.94 2pfj s ILE 92 N -1.64 3.55 -0.44 1.52 1.01 -0.92 -0.58 121.20 123.71 2pfj s ILE 92 Ca 0.12 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 2pfj s ILE 92 Cb -0.08 -2.49 0.09 0.00 0.01 0.00 0.00 42.46 39.99 2pfj s ILE 92 CO 0.06 0.55 0.30 -0.69 0.00 0.00 0.00 174.94 175.15 2pfj s VAL 93 N -0.15 4.26 0.30 2.92 1.01 -0.17 -1.29 120.40 127.29 2pfj s VAL 93 Ca 0.01 -1.52 -0.27 0.00 0.00 0.00 0.00 61.98 60.20 2pfj s VAL 93 Cb -0.13 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 2pfj s VAL 93 CO 0.03 -0.61 0.94 -0.36 0.00 0.00 0.00 175.10 175.11 2pfj s PHE 94 N 1.41 3.76 0.23 5.22 0.40 -0.35 -2.09 117.98 126.56 2pfj s PHE 94 Ca 0.04 1.81 -0.06 0.00 -0.60 0.00 0.00 56.93 58.13 2pfj s PHE 94 Cb -0.24 -2.94 0.35 0.00 0.51 0.00 0.00 43.02 40.70 2pfj s PHE 94 CO 0.01 0.26 1.80 1.03 0.70 0.00 0.00 175.22 179.03 2pfj h SER 95 N 3.39 0.60 -0.65 1.36 0.87 -0.94 0.32 113.55 118.50 2pfj h SER 95 Ca -0.46 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.19 2pfj h SER 95 Cb 1.19 -0.07 -0.19 0.00 -0.44 0.00 0.00 62.40 62.90 2pfj h SER 95 CO 0.66 0.35 -0.28 -0.55 -0.53 0.00 0.00 176.83 176.48 2pfj s SER 96 N -5.58 -1.02 0.00 6.23 0.15 -1.26 -4.40 113.70 107.82 2pfj s SER 96 Ca -0.13 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.23 2pfj s SER 96 Cb 0.18 1.38 0.35 0.00 -1.71 0.00 0.00 66.02 66.23 2pfj s SER 96 CO 0.77 -0.13 0.80 -1.54 1.20 0.00 0.00 173.24 174.34 2pfj n SER 97 N 4.39 0.00 0.17 5.45 3.41 -1.26 -0.97 113.62 124.80 2pfj n SER 97 Ca 0.08 -0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2pfj n SER 97 Cb 0.59 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.61 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 -6.69 4.33 3.08 -1.96 -1.38 114.38 111.77 2pfj h ARG 98 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2pfj h ARG 98 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.20 2pfj h ARG 98 CO 0.00 0.33 0.01 2.41 -1.07 0.00 0.00 179.97 181.65 2pfj n THR 99 N -3.18 2.96 -3.65 2.04 -1.04 -0.15 -4.68 114.28 106.58 2pfj n THR 99 Ca 0.03 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 2pfj n THR 99 Cb 0.67 -1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.36 3.68 0.36 -2.82 -0.14 -1.26 -1.30 119.74 115.90 2pfj s LYS 100 Ca 0.70 0.06 0.13 0.00 -1.36 0.00 0.00 55.97 55.50 2pfj s LYS 100 Cb -0.47 -3.01 0.95 0.00 -1.68 0.00 0.00 37.83 33.62 2pfj s LYS 100 CO 0.52 0.58 1.79 -0.07 -0.76 0.00 0.00 175.35 177.41 2pfj h LEU 101 N 3.71 0.58 -7.45 3.17 3.38 -1.73 -3.45 115.31 113.52 2pfj h LEU 101 Ca -0.49 0.08 0.18 0.00 0.09 0.00 0.00 57.88 57.74 2pfj h LEU 101 Cb 1.19 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 2pfj h LEU 101 CO 0.67 0.17 0.53 -0.72 0.09 0.00 0.00 178.44 179.18 2pfj s TYR 102 N -5.63 -0.17 -0.32 1.13 -0.85 -1.26 -4.85 117.35 105.40 2pfj s TYR 102 Ca -0.10 -0.07 -0.29 0.00 -0.52 0.00 0.00 57.07 56.09 2pfj s TYR 102 Cb 0.25 0.60 -0.12 0.00 0.38 0.00 0.00 41.96 43.07 2pfj s TYR 102 CO 0.80 -0.69 1.22 1.63 -1.52 0.00 0.00 175.55 176.99 2pfj n LYS 103 N -0.41 0.00 -4.04 -3.49 4.76 -1.26 -0.81 118.16 112.90 2pfj n LYS 103 Ca -0.07 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.07 2pfj n LYS 103 Cb 0.61 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.81 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 3.85 -0.33 3.82 0.72 0.00 -1.26 -4.98 105.19 107.00 2pfj n GLY 104 Ca 0.29 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.20 7.03 0.53 1.61 0.15 0.01 -4.98 113.70 113.85 2pfj s SER 105 Ca 0.10 1.33 0.34 0.00 0.70 0.00 0.00 55.95 58.41 2pfj s SER 105 Cb -0.05 -2.38 1.44 0.00 -1.71 0.00 0.00 66.02 63.32 2pfj s SER 105 CO 0.93 0.11 2.00 1.55 1.20 0.00 0.00 173.24 179.02 2pfj h PRO 106 N 3.74 0.00 -5.71 5.44 0.13 -1.93 -3.45 132.00 130.21 2pfj h PRO 106 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 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 -0.20 0.99 -0.23 0.00 0.00 178.00 179.21 2pfj s THR 107 N -3.68 5.20 0.25 1.56 2.01 -1.26 -5.06 115.64 114.65 2pfj s THR 107 Ca 0.01 0.82 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 2pfj s THR 107 Cb 0.09 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2pfj s THR 107 CO 0.51 0.39 0.50 -0.94 -0.69 0.00 0.00 174.62 174.39 2pfj s SER 108 N 0.30 6.44 0.30 3.53 1.04 -1.26 -2.06 113.70 121.99 2pfj s SER 108 Ca 0.23 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.32 2pfj s SER 108 Cb -0.15 -2.11 0.74 0.00 0.10 0.00 0.00 66.02 64.61 2pfj s SER 108 CO 0.09 -0.13 1.60 1.88 0.98 0.00 0.00 173.24 177.66 2pfj h TYR 109 N 1.88 0.13 0.10 5.02 0.05 -1.20 -0.21 116.97 122.75 2pfj h TYR 109 Ca -0.48 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2pfj h TYR 109 Cb 1.19 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 2pfj h TYR 109 CO 0.57 -0.35 -0.23 0.78 -1.05 0.00 0.00 178.16 177.89 2pfj h GLY 110 N 0.08 -1.13 -0.74 3.88 0.00 -1.52 -1.24 103.07 102.41 2pfj h GLY 110 Ca 0.58 0.54 0.17 0.00 0.00 0.00 0.00 47.33 48.61 2pfj h GLY 110 CO -0.80 -0.36 -0.24 0.83 0.00 0.00 0.00 176.54 175.97 2pfj h GLU 111 N -0.36 -0.01 -0.91 4.80 5.08 -1.52 0.54 114.58 122.20 2pfj h GLU 111 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2pfj h GLU 111 Cb 0.35 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2pfj h GLU 111 CO -0.10 -0.01 0.58 0.35 -1.00 0.00 0.00 179.01 178.83 2pfj h PHE 112 N -0.01 1.07 -0.08 4.33 3.57 -0.69 -2.24 116.94 122.89 2pfj h PHE 112 Ca 0.40 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2pfj h PHE 112 Cb 0.62 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2pfj h PHE 112 CO -0.69 0.56 -0.01 0.00 -2.23 0.00 0.00 178.31 175.94 2pfj h GLU 114 N -0.17 0.98 0.00 0.00 4.81 -1.40 0.34 114.58 119.15 2pfj h GLU 114 Ca 0.02 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2pfj h GLU 114 Cb 0.40 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2pfj h GLU 114 CO 0.01 0.86 0.00 -0.22 -0.73 0.00 0.00 179.01 178.93 2pfj h LYS 115 N 0.94 0.00 -0.00 1.92 3.64 -1.27 -3.01 116.57 118.78 2pfj h LYS 115 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2pfj h LYS 115 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2pfj h LYS 115 CO -0.00 0.00 -0.18 0.72 -2.27 0.00 0.00 179.45 177.72 2pfj n HIS 116 N -2.50 0.00 -0.29 1.91 8.25 -0.60 -5.00 115.22 116.99 2pfj n HIS 116 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2pfj n HIS 116 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 0.88 0.73 3.63 -1.41 0.00 0.57 -5.03 105.19 104.55 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 -2.35 4.30 0.03 -0.61 1.01 0.88 -4.97 121.20 119.49 2pfj s ILE 118 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 61.80 2pfj s ILE 118 Cb 0.00 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 2pfj s ILE 118 CO 0.00 -0.58 1.44 -0.54 0.00 0.00 0.00 174.94 175.25 2pfj s LYS 119 N 4.03 4.28 0.05 2.79 3.01 -1.26 -4.15 119.74 128.49 2pfj s LYS 119 Ca 0.50 2.04 -0.04 0.00 -1.01 0.00 0.00 55.97 57.46 2pfj s LYS 119 Cb -0.13 -3.52 -0.02 0.00 -1.01 0.00 0.00 37.83 33.15 2pfj s LYS 119 CO 0.22 -0.57 0.06 -0.59 0.51 0.00 0.00 175.35 174.98 2pfj s PHE 120 N 2.19 0.32 0.27 3.18 -0.12 -1.26 -2.16 117.98 120.40 2pfj s PHE 120 Ca 0.66 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.77 2pfj s PHE 120 Cb -0.34 -0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 2pfj s PHE 120 CO 0.28 -0.41 0.31 0.00 -0.05 0.00 0.00 175.22 175.35 2pfj s ALA 121 N -3.41 0.97 -0.07 1.99 0.00 -0.41 -4.97 121.76 115.86 2pfj s ALA 121 Ca 0.02 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2pfj s ALA 121 Cb 0.04 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 24.43 2pfj s ALA 121 CO -0.08 -0.70 -0.14 0.34 0.00 0.00 0.00 175.76 175.17 2pfj s ASP 122 N -3.20 3.99 0.00 0.00 -1.08 -1.26 -1.21 116.67 113.91 2pfj s ASP 122 Ca 0.34 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2pfj s ASP 122 Cb 0.03 -1.06 0.00 0.00 -1.46 0.00 0.00 42.92 40.43 2pfj s ASP 122 CO 0.17 0.29 0.00 0.29 0.52 0.00 0.00 175.17 176.44 2pfj n LYS 123 N 2.67 0.00 -4.02 4.34 5.02 0.11 -4.76 118.16 121.52 2pfj n LYS 123 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.03 2pfj n LYS 123 Cb 0.52 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 2.28 -0.38 -0.35 1.02 -1.26 -5.01 118.68 114.99 2pfj s LEU 124 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 54.13 53.14 2pfj s LEU 124 Cb 0.00 0.22 0.02 0.00 0.02 0.00 0.00 46.19 46.44 2pfj s LEU 124 CO 0.00 -0.46 1.18 -0.63 0.02 0.00 0.00 176.35 176.46 2pfj s ILE 125 N -2.67 4.27 0.94 -0.59 1.01 -1.26 -4.88 121.20 118.02 2pfj s ILE 125 Ca -0.05 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 61.89 2pfj s ILE 125 Cb -0.01 -4.40 0.13 0.00 0.01 0.00 0.00 42.46 38.19 2pfj s ILE 125 CO -0.05 -0.68 0.98 -2.65 0.00 0.00 0.00 174.94 172.53 2pfj n PRO 126 N 7.40 -0.50 -0.04 2.79 -0.02 -1.26 -4.94 135.00 138.43 2pfj n PRO 126 Ca 0.13 -0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.38 2pfj n PRO 126 Cb 0.48 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.86 0.15 -0.81 3.55 0.00 -2.00 -3.21 119.26 115.07 2pfj h ALA 127 Ca -0.44 -0.40 0.18 0.00 0.00 0.00 0.00 54.91 54.26 2pfj h ALA 127 Cb 1.28 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2pfj h ALA 127 CO 0.40 0.13 -0.08 0.93 0.00 0.00 0.00 179.25 180.63 2pfj h GLU 128 N -0.15 0.05 -0.05 0.00 5.08 -1.95 0.48 114.58 118.03 2pfj h GLU 128 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2pfj h GLU 128 Cb 0.86 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2pfj h GLU 128 CO 0.05 0.03 -0.47 -1.49 -1.00 0.00 0.00 179.01 176.14 2pfj h TRP 129 N 0.05 -1.38 -0.16 4.33 4.06 -1.94 -0.66 115.95 120.26 2pfj h TRP 129 Ca 0.43 0.05 -0.06 0.00 2.06 0.00 0.00 58.89 61.37 2pfj h TRP 129 Cb 0.74 0.61 -0.01 0.00 -1.00 0.00 0.00 29.16 29.50 2pfj h TRP 129 CO -0.52 -0.48 -0.15 0.82 -3.56 0.00 0.00 178.44 174.54 2pfj h ILE 130 N -0.55 1.19 0.00 1.49 2.04 -1.12 -1.68 117.51 118.88 2pfj h ILE 130 Ca 0.02 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2pfj h ILE 130 Cb 0.61 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2pfj h ILE 130 CO -0.34 0.27 0.00 1.17 0.00 0.00 0.00 178.15 179.25 2pfj n LYS 131 N -4.25 0.12 -1.59 2.37 4.81 0.15 -4.86 118.16 114.91 2pfj n LYS 131 Ca -0.01 0.13 -0.33 0.00 -0.87 0.00 0.00 58.31 57.24 2pfj n LYS 131 Cb 0.29 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.90 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 -2.82 2.52 0.57 1.64 2.02 -0.32 -5.02 118.70 117.29 2pfj s GLU 132 Ca 0.14 1.46 -0.11 0.00 0.02 0.00 0.00 54.97 56.48 2pfj s GLU 132 Cb 0.13 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 2pfj s GLU 132 CO 0.34 -1.48 0.97 -1.25 0.02 0.00 0.00 175.26 173.86 2pfj s PRO 133 N -4.15 3.65 0.36 0.39 0.04 -1.26 -4.90 135.00 129.14 2pfj s PRO 133 Ca 0.68 0.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 2pfj s PRO 133 Cb -0.22 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 2pfj s PRO 133 CO 0.44 -0.44 1.29 0.21 0.04 0.00 0.00 177.00 178.54 2pfj s LYS 134 N -4.88 4.22 0.03 4.56 2.20 -1.26 -4.94 119.74 119.67 2pfj s LYS 134 Ca 0.54 2.17 0.07 0.00 -0.36 0.00 0.00 55.97 58.39 2pfj s LYS 134 Cb -0.11 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2pfj s LYS 134 CO 0.48 -0.29 -0.19 0.15 -0.36 0.00 0.00 175.35 175.14 2pfj s LYS 135 N -1.96 1.34 0.22 4.03 1.02 -0.39 -5.05 119.74 118.94 2pfj s LYS 135 Ca 0.52 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 2pfj s LYS 135 Cb -0.39 -1.41 -0.09 0.00 -0.52 0.00 0.00 37.83 35.42 2pfj s LYS 135 CO 0.51 0.36 1.39 -1.21 -0.92 0.00 0.00 175.35 175.48 2pfj s GLU 136 N -1.06 4.32 -0.11 1.68 0.41 -1.26 -4.44 118.70 118.23 2pfj s GLU 136 Ca 0.07 2.20 -0.01 0.00 -0.41 0.00 0.00 54.97 56.81 2pfj s GLU 136 Cb -0.08 -3.15 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 2pfj s GLU 136 CO 0.01 -0.36 -0.07 0.08 -0.49 0.00 0.00 175.26 174.43 2pfj s VAL 137 N 0.13 3.63 -1.25 2.63 1.01 -1.26 -5.03 120.40 120.26 2pfj s VAL 137 Ca 0.59 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2pfj s VAL 137 Cb -0.40 -2.53 0.13 0.00 0.00 0.00 0.00 36.38 33.58 2pfj s VAL 137 CO 0.40 0.55 1.58 -0.81 0.00 0.00 0.00 175.10 176.82 2pfj n PRO 138 N 2.91 3.29 0.27 2.72 -0.04 -1.26 -4.74 135.00 138.14 2pfj n PRO 138 Ca -0.18 -3.59 0.18 0.00 -0.04 0.00 0.00 63.50 59.87 2pfj n PRO 138 Cb 0.53 -3.24 0.85 0.00 -0.04 0.00 0.00 33.50 31.60 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 7.31 0.00 -1.01 0.54 -1.00 -1.97 -0.18 116.94 120.63 2pfj h PHE 139 Ca 0.38 0.00 0.31 0.00 2.81 0.00 0.00 57.97 61.47 2pfj h PHE 139 Cb 0.87 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.29 2pfj h PHE 139 CO 1.25 0.00 0.59 0.22 -1.61 0.00 0.00 178.31 178.76 2pfj h ASP 140 N 0.00 0.54 0.24 2.17 3.58 -2.05 -1.82 116.42 119.08 2pfj h ASP 140 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2pfj h ASP 140 Cb 0.23 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2pfj h ASP 140 CO 0.00 -0.08 -0.57 0.54 -2.88 0.00 0.00 179.24 176.25 2pfj n ARG 141 N -4.99 0.35 -3.95 0.28 5.12 -0.08 -4.96 116.66 108.43 2pfj n ARG 141 Ca 0.31 -0.25 -0.25 0.00 -1.93 0.00 0.00 57.85 55.73 2pfj n ARG 141 Cb 0.94 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 2pfj n ARG 141 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pfj s LEU 142 N -2.82 2.91 -0.05 0.55 1.43 -0.68 -5.15 118.68 114.88 2pfj s LEU 142 Ca 0.14 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2pfj s LEU 142 Cb 0.18 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 45.03 2pfj s LEU 142 CO 0.69 -0.86 -0.08 -1.59 0.23 0.00 0.00 176.35 174.74 2pfj s LYS 143 N -4.13 1.15 0.54 1.70 0.00 -1.26 -4.96 119.74 112.79 2pfj s LYS 143 Ca 0.37 -0.27 -0.07 0.00 0.00 0.00 0.00 55.97 56.00 2pfj s LYS 143 Cb -0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 37.83 36.76 2pfj s LYS 143 CO 0.22 0.01 0.88 0.50 0.00 0.00 0.00 175.35 176.96 2pfj s ARG 144 N 0.61 3.45 0.00 1.78 3.52 -1.26 -5.15 118.95 121.90 2pfj s ARG 144 Ca -0.10 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 2pfj s ARG 144 Cb -0.13 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 2pfj s ARG 144 CO 0.01 -0.40 0.00 1.17 -0.81 0.00 0.00 175.30 175.27