#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjj n ALA 2 N 0.00 -2.53 0.15 3.17 0.00 -1.26 -4.91 120.51 115.13 1rjj n ALA 2 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1rjj n ALA 2 Cb 0.00 -3.75 0.06 0.00 0.00 0.00 0.00 19.45 15.76 1rjj n ALA 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1rjj n THR 3 N -2.94 0.40 0.00 0.00 5.66 -1.26 -5.02 114.28 111.12 1rjj n THR 3 Ca -0.07 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 1rjj n THR 3 Cb 0.58 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 1rjj n THR 3 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1rjj n SER 4 N 0.36 0.00 -4.90 1.09 3.41 -1.26 -4.93 113.62 107.39 1rjj n SER 4 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.45 1rjj n SER 4 Cb 0.27 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rjj s GLY 5 N 0.00 2.18 -0.09 5.00 0.00 -0.64 -4.60 107.32 109.16 1rjj s GLY 5 Ca 0.00 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.02 1rjj s GLY 5 CO 0.00 -1.78 -0.17 -1.36 0.00 0.00 0.00 173.10 169.79 1rjj s PHE 6 N -2.60 1.97 -0.14 1.90 0.08 -0.85 -1.30 117.98 117.04 1rjj s PHE 6 Ca 0.45 -0.80 -0.06 0.00 0.12 0.00 0.00 56.93 56.64 1rjj s PHE 6 Cb -0.03 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1rjj s PHE 6 CO 0.27 -0.37 0.05 0.21 -0.10 0.00 0.00 175.22 175.28 1rjj s LYS 7 N 0.61 3.61 -0.10 0.44 2.20 0.55 -0.29 119.74 126.76 1rjj s LYS 7 Ca -0.15 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1rjj s LYS 7 Cb -0.16 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1rjj s LYS 7 CO 0.05 0.47 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.80 1rjj s HIS 8 N -0.20 1.74 0.02 4.03 5.65 0.65 -1.55 115.29 125.64 1rjj s HIS 8 Ca 0.07 -0.80 0.01 0.00 0.25 0.00 0.00 55.06 54.60 1rjj s HIS 8 Cb -0.12 -1.30 -0.01 0.00 -1.18 0.00 0.00 32.58 29.97 1rjj s HIS 8 CO 0.01 -0.44 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.44 1rjj s LEU 9 N 1.10 2.15 -0.02 8.88 0.20 -0.92 0.03 118.68 130.11 1rjj s LEU 9 Ca -0.05 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.45 1rjj s LEU 9 Cb -0.14 -0.13 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 1rjj s LEU 9 CO -0.02 -0.12 -0.12 0.54 -0.29 0.00 0.00 176.35 176.34 1rjj s VAL 10 N -0.87 0.97 -0.09 1.68 0.11 -1.20 -1.81 120.40 119.18 1rjj s VAL 10 Ca -0.06 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 1rjj s VAL 10 Cb -0.07 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1rjj s VAL 10 CO -0.00 0.28 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.13 1rjj s VAL 11 N -0.09 2.16 0.07 2.04 1.01 0.25 -2.88 120.40 122.96 1rjj s VAL 11 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1rjj s VAL 11 Cb -0.07 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1rjj s VAL 11 CO 0.00 0.56 -0.06 0.68 0.00 0.00 0.00 175.10 176.28 1rjj s VAL 12 N 0.19 0.57 0.15 2.92 -7.23 -1.09 -2.15 120.40 113.77 1rjj s VAL 12 Ca -0.14 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1rjj s VAL 12 Cb -0.17 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1rjj s VAL 12 CO 0.07 -0.70 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.19 1rjj s LYS 13 N -2.98 1.31 0.04 4.82 2.47 -1.23 -2.77 119.74 121.41 1rjj s LYS 13 Ca 0.03 -1.37 0.04 0.00 -1.56 0.00 0.00 55.97 53.11 1rjj s LYS 13 Cb -0.00 -1.54 -0.04 0.00 -1.46 0.00 0.00 37.83 34.79 1rjj s LYS 13 CO -0.03 0.34 -0.06 -0.59 0.16 0.00 0.00 175.35 175.16 1rjj s PHE 14 N -1.62 2.87 0.00 4.03 -0.71 -1.26 -1.00 117.98 120.29 1rjj s PHE 14 Ca 0.14 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 1rjj s PHE 14 Cb -0.08 -1.55 0.00 0.00 -1.21 0.00 0.00 43.02 40.18 1rjj s PHE 14 CO 0.07 0.40 0.00 0.36 -1.34 0.00 0.00 175.22 174.71 1rjj n LYS 15 N 1.19 2.97 -0.09 1.99 -0.00 -1.26 -4.84 118.16 118.12 1rjj n LYS 15 Ca -0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.06 1rjj n LYS 15 Cb 0.52 -0.74 -0.04 0.00 -0.00 0.00 0.00 35.03 34.77 1rjj n LYS 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1rjj n GLU 16 N -0.78 0.50 0.00 -1.58 2.13 -1.26 -5.00 120.64 114.65 1rjj n GLU 16 Ca 0.00 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1rjj n GLU 16 Cb 0.03 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1rjj n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1rjj n ASP 17 N -4.52 0.00 -4.50 4.31 8.00 -1.26 -5.09 116.55 113.49 1rjj n ASP 17 Ca -0.17 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.91 1rjj n ASP 17 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1rjj n THR 18 N 0.00 0.03 -2.14 -3.53 -1.04 -1.26 -4.79 114.28 101.54 1rjj n THR 18 Ca 0.00 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.33 1rjj n THR 18 Cb 0.00 -1.71 -0.05 0.00 -1.82 0.00 0.00 70.33 66.75 1rjj n THR 18 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rjj s LYS 19 N 7.82 2.71 0.22 -2.82 3.01 -1.26 -4.72 119.74 124.71 1rjj s LYS 19 Ca 1.14 -1.09 -0.07 0.00 -1.01 0.00 0.00 55.97 54.93 1rjj s LYS 19 Cb -0.74 -5.25 0.19 0.00 -1.01 0.00 0.00 37.83 31.03 1rjj s LYS 19 CO 0.41 -3.61 1.83 -0.39 0.51 0.00 0.00 175.35 174.09 1rjj h VAL 20 N 6.34 1.26 -0.28 3.17 -1.51 -1.97 0.13 116.25 123.39 1rjj h VAL 20 Ca 0.22 -0.70 -0.05 0.00 -1.23 0.00 0.00 66.70 64.94 1rjj h VAL 20 Cb 0.95 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 1rjj h VAL 20 CO 1.26 0.31 -0.01 0.44 -1.23 0.00 0.00 177.57 178.33 1rjj h ASP 21 N 1.22 0.49 0.05 4.19 3.32 -1.97 2.30 116.42 126.02 1rjj h ASP 21 Ca 0.30 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1rjj h ASP 21 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1rjj h ASP 21 CO -0.04 0.69 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.49 1rjj h GLU 22 N 0.28 0.41 -0.38 3.56 3.07 -1.92 -0.81 114.58 118.79 1rjj h GLU 22 Ca 0.08 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 1rjj h GLU 22 Cb 0.44 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1rjj h GLU 22 CO 0.02 0.71 -0.06 0.82 -1.40 0.00 0.00 179.01 179.09 1rjj h ILE 23 N 0.35 1.27 -0.85 3.13 2.04 -0.33 -2.13 117.51 120.99 1rjj h ILE 23 Ca 0.04 -1.11 0.15 0.00 1.00 0.00 0.00 64.86 64.93 1rjj h ILE 23 Cb 0.78 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1rjj h ILE 23 CO 0.06 0.37 0.55 0.25 0.00 0.00 0.00 178.15 179.38 1rjj h LEU 24 N 0.51 0.57 -1.60 1.44 5.85 0.47 0.75 115.31 123.30 1rjj h LEU 24 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1rjj h LEU 24 Cb 0.56 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1rjj h LEU 24 CO 0.03 0.29 0.27 0.50 -0.34 0.00 0.00 178.44 179.19 1rjj h LYS 25 N 0.60 0.54 0.21 1.25 3.64 -0.48 -1.14 116.57 121.19 1rjj h LYS 25 Ca 0.42 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1rjj h LYS 25 Cb 0.76 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1rjj h LYS 25 CO -0.18 0.36 -0.10 0.78 -2.27 0.00 0.00 179.45 178.04 1rjj h GLY 26 N 0.55 -0.30 -0.29 5.01 0.00 0.63 -1.91 103.07 106.77 1rjj h GLY 26 Ca 0.15 0.11 0.22 0.00 0.00 0.00 0.00 47.33 47.81 1rjj h GLY 26 CO -0.03 -0.11 0.30 -2.00 0.00 0.00 0.00 176.54 174.70 1rjj h LEU 27 N -0.35 0.15 -1.26 3.11 6.46 -0.75 1.85 115.31 124.52 1rjj h LEU 27 Ca -0.03 0.17 0.11 0.00 -0.12 0.00 0.00 57.88 58.01 1rjj h LEU 27 Cb 0.27 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1rjj h LEU 27 CO 0.05 -0.07 0.56 -0.33 -0.62 0.00 0.00 178.44 178.03 1rjj h GLU 28 N 0.30 0.77 -0.32 1.25 5.08 -0.59 0.14 114.58 121.21 1rjj h GLU 28 Ca 0.54 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1rjj h GLU 28 Cb 1.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1rjj h GLU 28 CO -0.58 0.51 0.14 -0.91 -1.00 0.00 0.00 179.01 177.17 1rjj h ASN 29 N 0.80 0.43 -0.73 1.42 2.35 0.34 -2.25 115.58 117.94 1rjj h ASN 29 Ca 0.41 -0.15 0.16 0.00 -0.55 0.00 0.00 56.30 56.17 1rjj h ASN 29 Cb 0.50 -0.11 -0.12 0.00 0.05 0.00 0.00 38.32 38.64 1rjj h ASN 29 CO -0.18 0.46 0.10 -0.07 -1.65 0.00 0.00 177.43 176.10 1rjj h LEU 30 N 0.37 -0.13 -1.89 1.61 -0.00 0.91 1.43 115.31 117.61 1rjj h LEU 30 Ca 0.11 0.16 0.17 0.00 -0.00 0.00 0.00 57.88 58.32 1rjj h LEU 30 Cb 0.16 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1rjj h LEU 30 CO -0.01 -0.10 0.57 0.58 -0.00 0.00 0.00 178.44 179.48 1rjj h VAL 31 N 0.19 0.37 -0.75 1.22 2.07 -0.72 0.43 116.25 119.06 1rjj h VAL 31 Ca 0.41 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.09 1rjj h VAL 31 Cb 0.70 0.56 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1rjj h VAL 31 CO -0.56 0.00 -0.02 -1.28 0.02 0.00 0.00 177.57 175.72 1rjj h SER 32 N 0.00 -0.40 1.06 0.57 0.87 0.20 0.26 113.55 116.12 1rjj h SER 32 Ca 0.27 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.93 1rjj h SER 32 Cb 1.41 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1rjj h SER 32 CO -0.00 -0.19 -0.99 0.06 -0.53 0.00 0.00 176.83 175.18 1rjj h GLN 33 N 0.08 0.00 -0.87 2.24 -0.00 -1.04 -3.33 115.11 112.20 1rjj h GLN 33 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1rjj h GLN 33 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 1rjj h GLN 33 CO -0.67 0.24 0.00 -0.89 -0.00 0.00 0.00 178.83 177.51 1rjj n ILE 34 N -2.93 0.20 0.09 1.86 2.08 0.07 -3.49 119.36 117.24 1rjj n ILE 34 Ca -0.03 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.29 1rjj n ILE 34 Cb 0.72 -0.48 0.05 0.00 -0.75 0.00 0.00 39.64 39.18 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1rjj n ASP 35 N 0.32 0.00 0.00 4.38 5.68 -1.17 0.40 116.55 126.16 1rjj n ASP 35 Ca 0.00 0.47 0.09 0.00 -0.50 0.00 0.00 54.79 54.84 1rjj n ASP 35 Cb 0.21 -0.47 0.45 0.00 -1.14 0.00 0.00 41.12 40.18 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1rjj n THR 36 N -1.47 0.40 -2.86 2.12 -2.24 -1.23 -4.81 114.28 104.19 1rjj n THR 36 Ca 0.01 0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.71 1rjj n THR 36 Cb 0.03 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1rjj n THR 36 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1rjj n VAL 37 N -1.24 0.00 -2.19 2.28 0.24 0.16 -4.65 118.33 112.94 1rjj n VAL 37 Ca 0.09 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 1rjj n VAL 37 Cb 0.13 -0.21 0.02 0.00 -1.47 0.00 0.00 33.84 32.31 1rjj n VAL 37 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1rjj n LYS 38 N -2.35 3.36 -3.95 7.34 2.85 -1.26 -5.03 118.16 119.11 1rjj n LYS 38 Ca 0.05 -4.15 0.01 0.00 -1.05 0.00 0.00 58.31 53.17 1rjj n LYS 38 Cb 0.29 -2.19 0.01 0.00 -0.65 0.00 0.00 35.03 32.50 1rjj n LYS 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1rjj s SER 39 N -3.60 0.00 0.03 -5.58 0.15 -1.26 -0.28 113.70 103.16 1rjj s SER 39 Ca 0.48 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.75 1rjj s SER 39 Cb 0.40 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1rjj s SER 39 CO -0.01 -0.47 0.11 -0.36 1.20 0.00 0.00 173.24 173.71 1rjj s PHE 40 N -2.07 0.15 -0.24 3.44 0.08 0.21 -4.92 117.98 114.63 1rjj s PHE 40 Ca 0.27 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 1rjj s PHE 40 Cb -0.01 -0.11 0.09 0.00 -0.57 0.00 0.00 43.02 42.43 1rjj s PHE 40 CO 0.01 -0.34 0.55 -1.21 -0.10 0.00 0.00 175.22 174.13 1rjj s GLU 41 N -2.21 0.51 0.31 0.44 2.02 -1.21 -1.63 118.70 116.92 1rjj s GLU 41 Ca -0.08 1.17 0.03 0.00 0.02 0.00 0.00 54.97 56.11 1rjj s GLU 41 Cb -0.03 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.55 1rjj s GLU 41 CO -0.03 -0.19 0.15 -1.58 0.02 0.00 0.00 175.26 173.63 1rjj s TRP 42 N 2.25 1.63 -0.13 1.61 0.51 -1.18 -4.93 118.94 118.69 1rjj s TRP 42 Ca -0.06 -1.33 -0.26 0.00 -2.12 0.00 0.00 56.10 52.33 1rjj s TRP 42 Cb -0.10 -0.90 0.06 0.00 -0.81 0.00 0.00 33.47 31.72 1rjj s TRP 42 CO -0.16 -0.47 0.64 0.20 -0.51 0.00 0.00 176.95 176.65 1rjj s GLY 43 N -3.39 -0.50 0.16 0.98 0.00 -1.26 -2.79 107.32 100.52 1rjj s GLY 43 Ca 0.35 1.47 -0.10 0.00 0.00 0.00 0.00 44.72 46.44 1rjj s GLY 43 CO 0.17 1.17 0.30 -0.54 0.00 0.00 0.00 173.10 174.20 1rjj s GLU 44 N -0.52 1.15 0.28 2.90 8.01 -1.19 -4.99 118.70 124.36 1rjj s GLU 44 Ca -0.06 -1.12 0.09 0.00 0.01 0.00 0.00 54.97 53.89 1rjj s GLU 44 Cb -0.03 0.39 -0.04 0.00 -4.31 0.00 0.00 34.13 30.14 1rjj s GLU 44 CO 0.05 -0.43 0.00 0.34 0.01 0.00 0.00 175.26 175.24 1rjj s ASP 45 N -2.95 4.47 -1.00 -0.19 2.15 -1.26 -2.96 116.67 114.93 1rjj s ASP 45 Ca 0.15 -0.72 -0.26 0.00 0.43 0.00 0.00 52.55 52.15 1rjj s ASP 45 Cb 0.03 -0.76 -0.18 0.00 -0.30 0.00 0.00 42.92 41.71 1rjj s ASP 45 CO -0.01 -0.06 2.17 -1.59 -0.17 0.00 0.00 175.17 175.51 1rjj s LYS 46 N -3.69 1.51 -0.35 4.34 -2.85 0.14 -4.59 119.74 114.25 1rjj s LYS 46 Ca 0.32 -0.24 0.12 0.00 -1.00 0.00 0.00 55.97 55.17 1rjj s LYS 46 Cb -0.05 -4.96 0.45 0.00 -2.06 0.00 0.00 37.83 31.21 1rjj s LYS 46 CO 0.20 -4.92 1.08 0.39 0.10 0.00 0.00 175.35 172.19 1rjj n GLU 47 N 8.41 2.55 -3.30 1.78 1.02 -1.26 -4.93 120.64 124.91 1rjj n GLU 47 Ca 0.43 -3.93 -0.24 0.00 -0.02 0.00 0.00 57.16 53.39 1rjj n GLU 47 Cb 0.46 -1.87 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rjj n SER 48 N -0.42 -0.74 -2.38 1.62 2.88 -1.26 -5.05 113.62 108.27 1rjj n SER 48 Ca 0.27 -2.46 -0.01 0.00 -1.33 0.00 0.00 58.87 55.33 1rjj n SER 48 Cb 0.78 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1rjj n SER 48 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1rjj n HIS 49 N 2.69 -3.97 -0.39 0.66 8.25 -1.26 -2.76 115.22 118.45 1rjj n HIS 49 Ca 0.28 2.35 0.31 0.00 -0.26 0.00 0.00 57.72 60.40 1rjj n HIS 49 Cb 0.49 -3.38 0.61 0.00 1.12 0.00 0.00 29.99 28.84 1rjj n HIS 49 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1rjj h ASP 50 N 4.28 0.28 0.13 0.41 3.58 -1.96 0.33 116.42 123.47 1rjj h ASP 50 Ca -0.10 0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1rjj h ASP 50 Cb 0.23 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1rjj h ASP 50 CO 0.00 -0.03 -0.57 0.00 -2.88 0.00 0.00 179.24 175.76 1rjj h MET 51 N 0.20 0.46 0.01 0.28 -0.00 -1.99 -3.15 114.93 110.73 1rjj h MET 51 Ca 0.69 -0.30 -0.00 0.00 -0.00 0.00 0.00 59.70 60.09 1rjj h MET 51 Cb 2.12 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 33.76 1rjj h MET 51 CO -0.29 0.90 -0.00 -0.07 -0.00 0.00 0.00 176.91 177.45 1rjj h LEU 52 N 0.35 -0.01 -0.35 -0.10 3.38 -0.51 -3.23 115.31 114.85 1rjj h LEU 52 Ca 0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1rjj h LEU 52 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1rjj h LEU 52 CO 0.10 0.89 0.00 -2.11 0.09 0.00 0.00 178.44 177.41 1rjj n ARG 53 N -4.66 0.21 -2.67 1.13 1.85 -0.64 -4.73 116.66 107.16 1rjj n ARG 53 Ca -0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.69 1rjj n ARG 53 Cb 0.41 -1.04 -0.01 0.00 -1.05 0.00 0.00 32.46 30.77 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1rjj n GLN 54 N -0.19 -2.39 -0.56 2.89 1.13 -1.21 0.04 117.38 117.08 1rjj n GLN 54 Ca 0.00 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1rjj n GLN 54 Cb 0.02 -4.07 0.00 0.00 0.11 0.00 0.00 30.24 26.30 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rjj n GLY 55 N -0.56 0.00 0.00 1.08 0.00 -1.19 -4.94 105.19 99.58 1rjj n GLY 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1rjj n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rjj n PHE 56 N -1.93 0.00 0.11 1.61 3.72 0.11 -5.01 117.46 116.07 1rjj n PHE 56 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1rjj n PHE 56 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1rjj n PHE 56 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1rjj n THR 57 N 0.00 0.00 -3.59 4.37 -1.04 -1.11 -4.67 114.28 108.24 1rjj n THR 57 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1rjj n THR 57 Cb 0.00 -0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 68.03 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1rjj s HIS 58 N -2.00 -0.64 0.06 -1.42 5.65 -1.21 0.26 115.29 115.98 1rjj s HIS 58 Ca 0.00 1.29 0.04 0.00 0.25 0.00 0.00 55.06 56.64 1rjj s HIS 58 Cb 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 32.58 31.69 1rjj s HIS 58 CO 0.00 -0.49 -0.12 0.00 -0.65 0.00 0.00 174.74 173.48 1rjj s ALA 59 N -0.62 0.98 -0.19 1.58 0.00 -1.16 -2.66 121.76 119.70 1rjj s ALA 59 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1rjj s ALA 59 Cb -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1rjj s ALA 59 CO 0.06 0.12 -0.18 -0.06 0.00 0.00 0.00 175.76 175.71 1rjj s PHE 60 N -1.19 2.82 -0.78 0.00 0.40 -1.14 -3.14 117.98 114.94 1rjj s PHE 60 Ca -0.04 -1.57 -0.21 0.00 -0.60 0.00 0.00 56.93 54.52 1rjj s PHE 60 Cb -0.09 -1.95 0.10 0.00 0.51 0.00 0.00 43.02 41.59 1rjj s PHE 60 CO 0.01 -0.78 1.03 0.45 0.70 0.00 0.00 175.22 176.64 1rjj s SER 61 N 1.31 6.38 -0.39 1.36 0.15 -1.12 -3.23 113.70 118.17 1rjj s SER 61 Ca 0.05 -1.50 -0.13 0.00 0.70 0.00 0.00 55.95 55.07 1rjj s SER 61 Cb -0.13 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1rjj s SER 61 CO -0.11 -1.26 0.24 -0.04 1.20 0.00 0.00 173.24 173.27 1rjj s MET 62 N 3.40 2.93 0.05 5.44 -1.94 0.11 -3.09 119.30 126.20 1rjj s MET 62 Ca 0.27 -1.02 0.07 0.00 -1.71 0.00 0.00 55.69 53.30 1rjj s MET 62 Cb -0.12 -3.83 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 1rjj s MET 62 CO 0.01 -0.70 -0.20 0.99 -0.01 0.00 0.00 175.02 175.11 1rjj s THR 63 N 1.62 1.59 0.28 2.05 2.01 -0.65 0.24 115.64 122.78 1rjj s THR 63 Ca 0.04 -1.23 0.11 0.00 0.31 0.00 0.00 61.69 60.91 1rjj s THR 63 Cb -0.19 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1rjj s THR 63 CO 0.08 0.12 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.65 1rjj s PHE 64 N -0.88 2.43 0.07 4.92 0.08 0.60 0.68 117.98 125.88 1rjj s PHE 64 Ca 0.06 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.84 1rjj s PHE 64 Cb -0.09 -1.10 -0.24 0.00 -0.57 0.00 0.00 43.02 41.02 1rjj s PHE 64 CO 0.02 0.67 1.10 1.49 -0.10 0.00 0.00 175.22 178.40 1rjj h GLU 65 N 2.12 0.09 -2.74 0.44 4.81 -0.97 -2.26 114.58 116.07 1rjj h GLU 65 Ca -0.41 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1rjj h GLU 65 Cb 1.26 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1rjj h GLU 65 CO 0.61 0.99 0.38 -0.80 -0.73 0.00 0.00 179.01 179.46 1rjj s ASN 66 N -6.75 -0.11 0.57 1.04 0.01 -1.26 -4.44 114.94 103.99 1rjj s ASN 66 Ca -0.02 -0.72 0.26 0.00 -0.71 0.00 0.00 52.86 51.66 1rjj s ASN 66 Cb 0.09 0.66 1.57 0.00 0.41 0.00 0.00 41.25 43.97 1rjj s ASN 66 CO 0.84 -1.27 2.12 0.07 -1.51 0.00 0.00 177.10 177.35 1rjj h LYS 67 N 2.00 0.00 -0.84 -0.60 2.10 -1.94 -2.16 116.57 115.14 1rjj h LYS 67 Ca -0.26 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.51 1rjj h LYS 67 Cb 1.24 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.51 1rjj h LYS 67 CO 0.31 0.00 0.54 -0.44 -2.00 0.00 0.00 179.45 177.87 1rjj h ASP 68 N 0.00 0.67 0.01 7.07 3.32 -1.98 0.73 116.42 126.24 1rjj h ASP 68 Ca 0.08 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1rjj h ASP 68 Cb 0.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1rjj h ASP 68 CO -0.00 0.37 -0.43 1.23 -1.72 0.00 0.00 179.24 178.69 1rjj h GLY 69 N 0.73 0.56 0.98 2.75 0.00 -1.69 -2.36 103.07 104.04 1rjj h GLY 69 Ca 0.40 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1rjj h GLY 69 CO -0.17 0.52 0.27 -1.82 0.00 0.00 0.00 176.54 175.34 1rjj h TYR 70 N 0.42 0.67 0.00 5.60 3.20 -0.95 -0.89 116.97 125.02 1rjj h TYR 70 Ca 0.03 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1rjj h TYR 70 Cb 0.93 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1rjj h TYR 70 CO 0.03 0.49 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.18 1rjj h VAL 71 N 0.65 1.25 0.70 1.81 -1.51 -1.30 -3.01 116.25 114.83 1rjj h VAL 71 Ca 0.17 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1rjj h VAL 71 Cb 0.04 1.94 0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1rjj h VAL 71 CO -0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.45 1rjj h ALA 72 N 1.52 -1.00 -0.99 5.19 0.00 -0.82 0.20 119.26 123.35 1rjj h ALA 72 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.89 1rjj h ALA 72 Cb 0.91 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1rjj h ALA 72 CO 0.06 -0.93 0.60 0.35 0.00 0.00 0.00 179.25 179.33 1rjj h PHE 73 N -1.16 1.05 0.00 0.00 3.04 -1.22 -0.94 116.94 117.70 1rjj h PHE 73 Ca -0.10 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.68 1rjj h PHE 73 Cb 0.72 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 1rjj h PHE 73 CO 0.02 0.23 -1.04 0.00 -2.02 0.00 0.00 178.31 175.50 1rjj h THR 74 N 0.75 1.66 -0.51 4.41 1.03 -1.49 -3.30 112.91 115.47 1rjj h THR 74 Ca 0.57 -3.38 0.06 0.00 -0.01 0.00 0.00 66.41 63.65 1rjj h THR 74 Cb 0.89 2.82 -0.03 0.00 -1.07 0.00 0.00 68.15 70.76 1rjj h THR 74 CO -0.38 0.95 0.34 -1.28 -0.01 0.00 0.00 175.52 175.14 1rjj h SER 75 N 0.00 0.41 -3.38 0.00 0.87 0.84 -3.41 113.55 108.88 1rjj h SER 75 Ca -0.03 -0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.98 1rjj h SER 75 Cb 1.78 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.61 1rjj h SER 75 CO 0.13 0.27 0.03 -1.38 -0.53 0.00 0.00 176.83 175.34 1rjj s HIS 76 N -5.44 3.75 -1.91 2.24 -3.43 -1.16 -4.94 115.29 104.40 1rjj s HIS 76 Ca -0.08 1.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 1rjj s HIS 76 Cb 0.19 -2.55 0.00 0.00 -1.43 0.00 0.00 32.58 28.79 1rjj s HIS 76 CO 0.74 0.49 0.70 -0.35 -2.00 0.00 0.00 174.74 174.32 1rjj n PRO 77 N 1.30 0.73 0.17 -0.38 -0.04 -1.26 -3.63 135.00 131.89 1rjj n PRO 77 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1rjj n PRO 77 Cb 0.51 -1.03 0.26 0.00 -0.04 0.00 0.00 33.50 33.20 1rjj n PRO 77 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1rjj h LEU 78 N 0.02 0.00 0.13 1.53 6.46 -1.92 -3.21 115.31 118.33 1rjj h LEU 78 Ca 0.00 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.48 1rjj h LEU 78 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1rjj h LEU 78 CO 0.00 0.46 -1.38 -0.74 -0.62 0.00 0.00 178.44 176.16 1rjj h HIS 79 N 0.00 0.51 0.53 1.25 2.76 -1.81 -3.05 115.15 115.33 1rjj h HIS 79 Ca -0.00 -0.37 -0.02 0.00 -2.20 0.00 0.00 60.37 57.78 1rjj h HIS 79 Cb 1.00 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1rjj h HIS 79 CO 0.00 1.54 -0.41 -0.24 -1.30 0.00 0.00 177.93 177.51 1rjj h VAL 80 N -0.25 0.17 -0.78 5.26 3.04 -1.80 2.87 116.25 124.75 1rjj h VAL 80 Ca -0.29 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.44 1rjj h VAL 80 Cb 1.80 0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 31.20 1rjj h VAL 80 CO 0.09 0.00 0.49 -0.33 -1.01 0.00 0.00 177.57 176.81 1rjj h GLU 81 N -0.92 0.92 -0.32 4.17 5.08 -1.74 -1.67 114.58 120.09 1rjj h GLU 81 Ca -0.06 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1rjj h GLU 81 Cb 0.78 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1rjj h GLU 81 CO 0.00 0.61 -0.48 0.35 -1.00 0.00 0.00 179.01 178.49 1rjj h PHE 82 N 0.94 1.07 -0.84 4.33 3.57 -1.31 -3.10 116.94 121.59 1rjj h PHE 82 Ca 0.32 -0.35 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1rjj h PHE 82 Cb 0.04 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1rjj h PHE 82 CO -0.03 1.17 0.55 1.03 -2.23 0.00 0.00 178.31 178.80 1rjj h SER 83 N 0.68 0.95 -0.06 0.41 0.87 0.57 0.59 113.55 117.56 1rjj h SER 83 Ca 0.03 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rjj h SER 83 Cb 1.08 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1rjj h SER 83 CO 0.11 0.68 -0.06 0.00 -0.53 0.00 0.00 176.83 177.03 1rjj h ALA 84 N 1.49 -0.01 -0.38 6.23 0.00 -1.25 -2.05 119.26 123.28 1rjj h ALA 84 Ca 0.31 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1rjj h ALA 84 Cb -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rjj h ALA 84 CO -0.07 -0.53 -0.23 0.00 0.00 0.00 0.00 179.25 178.41 1rjj h ALA 85 N 0.97 0.54 -1.45 0.00 0.00 -1.44 -2.01 119.26 115.88 1rjj h ALA 85 Ca 0.05 -0.38 0.42 0.00 0.00 0.00 0.00 54.91 54.99 1rjj h ALA 85 Cb 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1rjj h ALA 85 CO -0.11 0.53 1.03 0.35 0.00 0.00 0.00 179.25 181.05 1rjj h PHE 86 N 0.63 0.08 0.00 0.00 3.57 0.78 0.47 116.94 122.47 1rjj h PHE 86 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1rjj h PHE 86 Cb 0.80 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1rjj h PHE 86 CO 0.06 -0.01 -0.14 1.15 -2.23 0.00 0.00 178.31 177.14 1rjj h THR 87 N 0.03 0.00 -1.50 4.41 2.02 -0.84 -3.26 112.91 113.77 1rjj h THR 87 Ca 0.71 -0.63 0.43 0.00 0.77 0.00 0.00 66.41 67.70 1rjj h THR 87 Cb 2.75 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.10 1rjj h THR 87 CO -0.06 0.00 1.33 0.00 0.37 0.00 0.00 175.52 177.16 1rjj n ALA 88 N -2.76 1.44 -0.60 6.16 0.00 -0.35 0.30 120.51 124.70 1rjj n ALA 88 Ca -0.02 0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.99 1rjj n ALA 88 Cb 0.07 -0.86 0.36 0.00 0.00 0.00 0.00 19.45 19.02 1rjj n ALA 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rjj n VAL 89 N -3.57 2.07 -4.32 0.00 3.14 0.15 -4.95 118.33 110.86 1rjj n VAL 89 Ca 0.34 -1.19 -0.17 0.00 -2.96 0.00 0.00 64.34 60.36 1rjj n VAL 89 Cb 1.78 -0.06 -0.10 0.00 -1.06 0.00 0.00 33.84 34.39 1rjj n VAL 89 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1rjj s ILE 90 N -2.16 1.11 -0.20 1.55 -1.09 0.88 -4.43 121.20 116.86 1rjj s ILE 90 Ca 0.50 -2.05 0.06 0.00 -2.23 0.00 0.00 60.65 56.92 1rjj s ILE 90 Cb 0.34 -2.23 -0.16 0.00 -1.58 0.00 0.00 42.46 38.84 1rjj s ILE 90 CO 0.20 -0.43 -0.11 -0.67 -1.23 0.00 0.00 174.94 172.70 1rjj n ASP 91 N -0.37 1.87 -3.81 3.58 2.03 -0.17 -4.80 116.55 114.88 1rjj n ASP 91 Ca -0.06 -0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.04 1rjj n ASP 91 Cb 0.63 0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.98 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1rjj s LYS 92 N -2.42 0.47 -0.08 -0.67 -2.85 -1.22 -4.98 119.74 107.98 1rjj s LYS 92 Ca -0.23 -0.07 0.02 0.00 -1.00 0.00 0.00 55.97 54.69 1rjj s LYS 92 Cb 0.07 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1rjj s LYS 92 CO 0.56 -0.11 -0.12 -1.50 0.10 0.00 0.00 175.35 174.28 1rjj s ILE 93 N -0.83 1.17 -0.05 3.79 1.10 -1.26 -3.53 121.20 121.60 1rjj s ILE 93 Ca -0.09 -0.47 0.03 0.00 -0.51 0.00 0.00 60.65 59.61 1rjj s ILE 93 Cb -0.05 -1.09 0.01 0.00 0.15 0.00 0.00 42.46 41.48 1rjj s ILE 93 CO 0.02 0.37 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.41 1rjj s VAL 94 N 0.89 1.07 -0.02 4.00 1.01 -0.91 -4.99 120.40 121.45 1rjj s VAL 94 Ca -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1rjj s VAL 94 Cb -0.15 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1rjj s VAL 94 CO 0.01 0.33 -0.02 -0.76 0.00 0.00 0.00 175.10 174.66 1rjj s LEU 95 N 0.37 1.59 -0.08 3.92 1.02 -1.26 -0.58 118.68 123.66 1rjj s LEU 95 Ca -0.08 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.04 1rjj s LEU 95 Cb -0.12 -0.21 0.01 0.00 0.02 0.00 0.00 46.19 45.88 1rjj s LEU 95 CO 0.02 -0.03 -0.16 -0.76 0.02 0.00 0.00 176.35 175.44 1rjj s LEU 96 N 0.47 1.78 -0.14 1.79 1.02 -0.75 -4.97 118.68 117.87 1rjj s LEU 96 Ca -0.05 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 53.73 1rjj s LEU 96 Cb -0.08 -1.03 0.01 0.00 0.02 0.00 0.00 46.19 45.11 1rjj s LEU 96 CO -0.01 0.06 -0.22 -0.62 0.02 0.00 0.00 176.35 175.59 1rjj s ASP 97 N 0.65 3.11 0.01 2.29 -1.08 -1.26 -2.15 116.67 118.24 1rjj s ASP 97 Ca -0.14 -0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 51.25 1rjj s ASP 97 Cb -0.16 -1.45 -0.01 0.00 -1.46 0.00 0.00 42.92 39.84 1rjj s ASP 97 CO 0.04 0.07 0.05 -0.36 0.52 0.00 0.00 175.17 175.50 1rjj s PHE 98 N 0.85 0.13 0.09 -5.34 0.08 -0.59 -4.93 117.98 108.26 1rjj s PHE 98 Ca -0.06 -0.28 -0.31 0.00 0.12 0.00 0.00 56.93 56.40 1rjj s PHE 98 Cb -0.15 -0.10 -0.07 0.00 -0.57 0.00 0.00 43.02 42.12 1rjj s PHE 98 CO -0.03 -0.22 1.29 -1.25 -0.10 0.00 0.00 175.22 174.91 1rjj s PRO 99 N -1.27 4.38 -0.31 0.24 0.04 -1.26 -0.33 135.00 136.49 1rjj s PRO 99 Ca -0.14 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 1rjj s PRO 99 Cb -0.08 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1rjj s PRO 99 CO 0.00 -0.34 0.43 0.08 0.04 0.00 0.00 177.00 177.21 1rjj s VAL 100 N 1.07 5.11 -1.22 -0.36 1.01 -0.42 -4.88 120.40 120.71 1rjj s VAL 100 Ca 0.61 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 1rjj s VAL 100 Cb -0.33 -3.83 0.19 0.00 0.00 0.00 0.00 36.38 32.41 1rjj s VAL 100 CO 0.30 -0.04 1.58 0.00 0.00 0.00 0.00 175.10 176.94 1rjj n ALA 101 N 5.50 4.58 -0.89 5.51 0.00 -1.26 -1.63 120.51 132.32 1rjj n ALA 101 Ca -0.07 -4.36 -0.41 0.00 0.00 0.00 0.00 53.44 48.60 1rjj n ALA 101 Cb 0.50 -2.92 -0.09 0.00 0.00 0.00 0.00 19.45 16.93 1rjj n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj n ALA 102 N 4.36 1.71 0.00 0.00 0.00 -1.26 -3.17 120.51 122.14 1rjj n ALA 102 Ca 0.36 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1rjj n ALA 102 Cb 0.39 -3.67 0.00 0.00 0.00 0.00 0.00 19.45 16.17 1rjj n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rjj n VAL 103 N 6.84 0.00 0.00 0.00 0.24 -1.26 -5.05 118.33 119.10 1rjj n VAL 103 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.77 1rjj n VAL 103 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1rjj n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rjj n LYS 104 N -0.78 0.00 0.00 7.34 5.02 -1.19 -4.59 118.16 123.96 1rjj n LYS 104 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rjj n LYS 104 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rjj n SER 105 N 1.54 0.00 -4.43 4.39 7.64 -1.26 -4.83 113.62 116.67 1rjj n SER 105 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.41 1rjj n SER 105 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1rjj n SER 105 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rjj n SER 106 N 0.75 0.95 -3.32 6.43 7.64 -1.26 -4.88 113.62 119.92 1rjj n SER 106 Ca 0.00 0.25 -0.20 0.00 1.01 0.00 0.00 58.87 59.93 1rjj n SER 106 Cb 0.00 -1.05 0.14 0.00 -1.01 0.00 0.00 64.21 62.29 1rjj n SER 106 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1rjj n VAL 107 N 7.27 0.00 -1.40 0.44 3.14 -1.26 -4.93 118.33 121.59 1rjj n VAL 107 Ca 0.56 -0.69 -0.45 0.00 -2.96 0.00 0.00 64.34 60.80 1rjj n VAL 107 Cb 0.11 -1.64 -0.02 0.00 -1.06 0.00 0.00 33.84 31.23 1rjj n VAL 107 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1rjj n VAL 108 N -3.23 1.57 -1.54 1.55 3.14 -1.26 -4.52 118.33 114.04 1rjj n VAL 108 Ca 0.11 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.76 1rjj n VAL 108 Cb 0.40 -0.17 -0.11 0.00 -1.06 0.00 0.00 33.84 32.89 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj n ALA 109 N -0.40 0.61 -1.68 1.55 0.00 -1.26 -4.87 120.51 114.46 1rjj n ALA 109 Ca 0.14 -1.03 -0.34 0.00 0.00 0.00 0.00 53.44 52.21 1rjj n ALA 109 Cb 0.32 -2.94 0.01 0.00 0.00 0.00 0.00 19.45 16.84 1rjj n ALA 109 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rjj s THR 110 N 10.16 3.32 0.00 0.00 -1.32 -1.26 -5.32 115.64 121.22 1rjj s THR 110 Ca 1.08 0.73 0.00 0.00 -1.21 0.00 0.00 61.69 62.29 1rjj s THR 110 Cb -0.44 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1rjj s THR 110 CO 0.28 -0.27 0.00 -2.65 -2.21 0.00 0.00 174.62 169.77