#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 -2.56 0.84 -5.12 0.00 -1.26 -4.87 120.51 107.53 1rjj n ALA 2 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1rjj n ALA 2 Cb 0.00 -3.04 0.27 0.00 0.00 0.00 0.00 19.45 16.69 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 0.27 0.00 0.00 5.66 -1.26 -4.89 114.28 111.13 1rjj n THR 3 Ca -0.09 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1rjj n THR 3 Cb 0.58 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.21 1rjj n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1rjj n SER 4 N 0.98 0.00 -4.47 1.09 7.64 -1.25 -4.87 113.62 112.75 1rjj n SER 4 Ca 0.17 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 1rjj n SER 4 Cb 0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1rjj n SER 4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rjj s GLY 5 N 0.00 2.08 -0.13 0.23 0.00 -1.10 -4.77 107.32 103.64 1rjj s GLY 5 Ca 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.65 1rjj s GLY 5 CO 0.00 -1.87 -0.09 -0.12 0.00 0.00 0.00 173.10 171.03 1rjj s PHE 6 N -3.14 2.91 -0.16 1.90 2.19 -0.19 -1.44 117.98 120.05 1rjj s PHE 6 Ca 0.34 -0.40 -0.06 0.00 0.33 0.00 0.00 56.93 57.14 1rjj s PHE 6 Cb 0.08 -1.86 -0.04 0.00 -1.31 0.00 0.00 43.02 39.88 1rjj s PHE 6 CO 0.15 -0.06 0.05 0.21 1.83 0.00 0.00 175.22 177.40 1rjj s LYS 7 N 0.17 3.80 -0.09 10.12 2.20 -1.20 -0.06 119.74 134.69 1rjj s LYS 7 Ca -0.05 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1rjj s LYS 7 Cb -0.14 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1rjj s LYS 7 CO 0.04 0.36 -0.15 -1.01 -0.36 0.00 0.00 175.35 174.24 1rjj s HIS 8 N 0.11 1.80 0.01 4.03 3.76 0.68 -2.22 115.29 123.46 1rjj s HIS 8 Ca 0.05 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1rjj s HIS 8 Cb -0.12 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.26 1rjj s HIS 8 CO 0.01 -0.39 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.27 1rjj s LEU 9 N 0.83 2.07 -0.00 0.89 0.20 -0.78 0.91 118.68 122.79 1rjj s LEU 9 Ca -0.11 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 54.54 1rjj s LEU 9 Cb -0.15 -0.26 -0.01 0.00 -0.43 0.00 0.00 46.19 45.33 1rjj s LEU 9 CO 0.01 0.00 -0.12 0.54 -0.29 0.00 0.00 176.35 176.49 1rjj s VAL 10 N -0.45 0.97 -0.06 1.68 0.11 -1.03 -1.06 120.40 120.56 1rjj s VAL 10 Ca -0.01 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1rjj s VAL 10 Cb -0.04 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1rjj s VAL 10 CO -0.00 0.23 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.13 1rjj s VAL 11 N -0.36 1.56 0.02 2.04 1.01 -0.40 -2.03 120.40 122.24 1rjj s VAL 11 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1rjj s VAL 11 Cb -0.05 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1rjj s VAL 11 CO -0.00 0.45 -0.11 0.68 0.00 0.00 0.00 175.10 176.12 1rjj s VAL 12 N 0.26 0.83 0.13 2.92 -7.23 -0.86 -2.45 120.40 114.01 1rjj s VAL 12 Ca -0.10 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 1rjj s VAL 12 Cb -0.14 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 1rjj s VAL 12 CO 0.04 0.05 0.06 -0.54 -0.31 0.00 0.00 175.10 174.41 1rjj s LYS 13 N -0.73 2.71 0.09 4.82 -0.14 -1.19 -3.44 119.74 121.86 1rjj s LYS 13 Ca 0.01 -0.87 0.07 0.00 -1.36 0.00 0.00 55.97 53.82 1rjj s LYS 13 Cb -0.06 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.47 1rjj s LYS 13 CO 0.00 0.51 -0.14 -0.59 -0.76 0.00 0.00 175.35 174.37 1rjj s PHE 14 N -1.56 2.65 0.00 3.18 -0.71 -1.26 -1.99 117.98 118.29 1rjj s PHE 14 Ca 0.29 -0.20 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 1rjj s PHE 14 Cb -0.11 -1.42 0.00 0.00 -1.21 0.00 0.00 43.02 40.28 1rjj s PHE 14 CO 0.21 0.38 0.00 0.36 -1.34 0.00 0.00 175.22 174.83 1rjj n LYS 15 N 0.94 1.87 -0.10 1.99 2.85 -1.26 -4.80 118.16 119.65 1rjj n LYS 15 Ca -0.15 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.94 1rjj n LYS 15 Cb 0.52 -0.90 -0.08 0.00 -0.65 0.00 0.00 35.03 33.93 1rjj n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1rjj n GLU 16 N -1.38 0.53 0.00 -1.58 1.02 -1.26 -5.00 120.64 112.97 1rjj n GLU 16 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1rjj n GLU 16 Cb 0.14 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1rjj n GLU 16 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1rjj n ASP 17 N -4.45 0.00 -4.46 1.62 2.03 -1.26 -5.08 116.55 104.95 1rjj n ASP 17 Ca -0.28 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.57 1rjj n ASP 17 Cb 0.59 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.90 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1rjj n THR 18 N 0.00 0.07 -2.21 5.18 -1.04 -1.26 -4.80 114.28 110.22 1rjj n THR 18 Ca 0.00 -0.28 -0.32 0.00 -2.04 0.00 0.00 64.05 61.42 1rjj n THR 18 Cb 0.00 -1.48 -0.04 0.00 -1.82 0.00 0.00 70.33 66.98 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 7.22 2.90 0.32 -2.82 3.01 -1.26 -4.74 119.74 124.37 1rjj s LYS 19 Ca 1.15 -1.01 0.01 0.00 -1.01 0.00 0.00 55.97 55.11 1rjj s LYS 19 Cb -0.89 -5.25 0.57 0.00 -1.01 0.00 0.00 37.83 31.25 1rjj s LYS 19 CO 0.46 -3.27 1.95 -0.39 0.51 0.00 0.00 175.35 174.61 1rjj h VAL 20 N 6.52 1.10 -0.56 3.17 -1.51 -1.96 -0.71 116.25 122.31 1rjj h VAL 20 Ca 0.21 -0.33 -0.08 0.00 -1.23 0.00 0.00 66.70 65.27 1rjj h VAL 20 Cb 0.96 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 1rjj h VAL 20 CO 1.29 0.18 0.04 -2.24 -1.23 0.00 0.00 177.57 175.60 1rjj h ASP 21 N 0.97 0.90 0.15 4.19 2.03 -1.99 0.51 116.42 123.18 1rjj h ASP 21 Ca 0.33 -0.22 -0.13 0.00 -0.73 0.00 0.00 57.03 56.28 1rjj h ASP 21 Cb 0.10 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 1rjj h ASP 21 CO -0.11 0.94 -0.47 -0.33 -1.03 0.00 0.00 179.24 178.24 1rjj h GLU 22 N 0.87 0.38 -0.45 4.15 3.07 -1.75 -2.10 114.58 118.75 1rjj h GLU 22 Ca 0.17 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1rjj h GLU 22 Cb 0.46 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1rjj h GLU 22 CO 0.02 0.77 0.15 0.82 -1.40 0.00 0.00 179.01 179.37 1rjj h ILE 23 N 0.31 1.22 -0.91 3.13 1.08 -0.50 -1.29 117.51 120.56 1rjj h ILE 23 Ca 0.02 -0.72 0.19 0.00 -0.39 0.00 0.00 64.86 63.96 1rjj h ILE 23 Cb 0.94 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.46 1rjj h ILE 23 CO 0.08 0.26 0.59 0.25 -0.69 0.00 0.00 178.15 178.64 1rjj h LEU 24 N 0.59 0.49 -1.43 1.44 5.85 0.63 1.35 115.31 124.23 1rjj h LEU 24 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1rjj h LEU 24 Cb 0.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1rjj h LEU 24 CO -0.01 0.20 0.20 0.50 -0.34 0.00 0.00 178.44 178.99 1rjj h LYS 25 N 0.49 0.58 0.15 1.25 3.64 -0.60 0.62 116.57 122.70 1rjj h LYS 25 Ca 0.47 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 1rjj h LYS 25 Cb 1.06 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1rjj h LYS 25 CO -0.20 0.46 -0.92 0.78 -2.27 0.00 0.00 179.45 177.30 1rjj h GLY 26 N 0.71 0.36 0.71 5.01 0.00 0.14 -2.60 103.07 107.39 1rjj h GLY 26 Ca 0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1rjj h GLY 26 CO -0.02 0.81 -0.47 -2.00 0.00 0.00 0.00 176.54 174.86 1rjj h LEU 27 N -0.32 -1.23 -0.67 3.11 7.12 0.19 2.13 115.31 125.63 1rjj h LEU 27 Ca -0.16 0.08 0.12 0.00 0.13 0.00 0.00 57.88 58.05 1rjj h LEU 27 Cb 1.70 0.38 -0.09 0.00 -0.53 0.00 0.00 40.66 42.12 1rjj h LEU 27 CO 0.16 -0.69 0.23 1.05 -0.13 0.00 0.00 178.44 179.06 1rjj h GLU 28 N -1.07 0.37 -0.65 1.25 4.11 0.08 0.76 114.58 119.42 1rjj h GLU 28 Ca -0.08 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.36 1rjj h GLU 28 Cb 0.89 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1rjj h GLU 28 CO 0.03 0.25 0.39 -0.97 0.07 0.00 0.00 179.01 178.79 1rjj h ASN 29 N 0.38 0.63 -0.80 3.06 -1.24 -0.93 -0.59 115.58 116.09 1rjj h ASN 29 Ca 0.36 0.01 0.17 0.00 0.71 0.00 0.00 56.30 57.55 1rjj h ASN 29 Cb 0.51 -0.12 -0.11 0.00 0.73 0.00 0.00 38.32 39.33 1rjj h ASN 29 CO -0.38 0.43 0.29 0.25 -1.29 0.00 0.00 177.43 176.73 1rjj h LEU 30 N 0.76 0.21 -1.89 0.34 7.12 0.99 1.67 115.31 124.50 1rjj h LEU 30 Ca 0.27 0.14 0.05 0.00 0.13 0.00 0.00 57.88 58.47 1rjj h LEU 30 Cb 0.06 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1rjj h LEU 30 CO -0.12 0.03 0.42 0.58 -0.13 0.00 0.00 178.44 179.21 1rjj h VAL 31 N 0.38 0.15 -1.04 1.05 2.07 0.62 -0.85 116.25 118.62 1rjj h VAL 31 Ca 0.46 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.40 1rjj h VAL 31 Cb 0.79 0.62 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 1rjj h VAL 31 CO -0.48 0.00 0.58 -1.28 0.02 0.00 0.00 177.57 176.41 1rjj h SER 32 N 0.00 0.33 1.32 0.57 0.87 0.25 2.60 113.55 119.49 1rjj h SER 32 Ca 0.08 0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1rjj h SER 32 Cb 0.92 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1rjj h SER 32 CO -0.00 -0.38 -0.31 1.56 -0.53 0.00 0.00 176.83 177.17 1rjj h GLN 33 N 0.04 0.00 -0.97 2.24 1.08 -1.32 -3.20 115.11 112.98 1rjj h GLN 33 Ca 0.84 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 58.04 1rjj h GLN 33 Cb 2.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.68 1rjj h GLN 33 CO -0.71 0.31 0.00 -0.89 -0.95 0.00 0.00 178.83 176.59 1rjj n ILE 34 N -3.28 0.33 0.00 2.54 5.41 0.87 -3.81 119.36 121.42 1rjj n ILE 34 Ca 0.01 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1rjj n ILE 34 Cb 0.57 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1rjj n ASP 35 N 0.08 0.00 -0.43 4.38 5.68 -1.20 0.25 116.55 125.31 1rjj n ASP 35 Ca 0.03 0.28 0.12 0.00 -0.50 0.00 0.00 54.79 54.71 1rjj n ASP 35 Cb 0.36 -0.28 0.47 0.00 -1.14 0.00 0.00 41.12 40.53 1rjj n ASP 35 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rjj n THR 36 N -1.26 0.12 -2.97 2.12 5.66 -1.25 -4.88 114.28 111.82 1rjj n THR 36 Ca 0.00 -0.26 -0.17 0.00 -3.05 0.00 0.00 64.05 60.57 1rjj n THR 36 Cb 0.04 0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 69.06 1rjj n THR 36 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1rjj n VAL 37 N 0.06 0.00 -1.85 1.08 0.24 0.68 -4.67 118.33 113.87 1rjj n VAL 37 Ca 0.17 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.21 1rjj n VAL 37 Cb 0.29 -0.20 0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1rjj n VAL 37 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rjj n LYS 38 N -2.59 3.38 -3.84 7.34 5.02 -1.26 -5.01 118.16 121.20 1rjj n LYS 38 Ca 0.05 -3.96 0.00 0.00 -2.02 0.00 0.00 58.31 52.38 1rjj n LYS 38 Cb 0.36 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 33.10 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rjj s SER 39 N -3.18 -0.03 0.07 4.39 0.01 -1.26 0.06 113.70 113.75 1rjj s SER 39 Ca 0.54 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 57.37 1rjj s SER 39 Cb 0.43 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1rjj s SER 39 CO 0.03 -0.55 0.21 -0.36 0.41 0.00 0.00 173.24 172.98 1rjj s PHE 40 N -2.30 0.08 -0.23 2.43 0.08 0.19 -4.94 117.98 113.30 1rjj s PHE 40 Ca 0.21 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.79 1rjj s PHE 40 Cb 0.00 -0.02 0.10 0.00 -0.57 0.00 0.00 43.02 42.53 1rjj s PHE 40 CO 0.00 -0.50 0.49 -1.21 -0.10 0.00 0.00 175.22 173.90 1rjj s GLU 41 N -3.21 0.40 0.38 0.44 2.02 -1.24 -1.14 118.70 116.35 1rjj s GLU 41 Ca -0.00 1.15 0.06 0.00 0.02 0.00 0.00 54.97 56.20 1rjj s GLU 41 Cb 0.02 0.48 -0.07 0.00 0.10 0.00 0.00 34.13 34.66 1rjj s GLU 41 CO -0.07 -0.23 0.03 -1.58 0.02 0.00 0.00 175.26 173.42 1rjj s TRP 42 N 2.66 2.28 0.16 1.61 0.52 -1.14 -4.92 118.94 120.11 1rjj s TRP 42 Ca -0.03 -0.80 0.01 0.00 0.02 0.00 0.00 56.10 55.30 1rjj s TRP 42 Cb -0.12 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 1rjj s TRP 42 CO -0.15 0.26 0.01 0.20 0.02 0.00 0.00 176.95 177.29 1rjj s GLY 43 N -3.62 1.17 -0.06 0.98 0.00 -1.26 -2.29 107.32 102.24 1rjj s GLY 43 Ca 0.35 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 43.28 1rjj s GLY 43 CO 0.17 -1.50 0.50 1.85 0.00 0.00 0.00 173.10 174.11 1rjj s GLU 44 N -3.93 0.82 -0.03 2.90 2.12 -1.09 -4.96 118.70 114.51 1rjj s GLU 44 Ca 0.24 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1rjj s GLU 44 Cb 0.06 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 1rjj s GLU 44 CO 0.03 -0.22 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.90 1rjj s ASP 45 N -0.97 4.21 -0.20 -1.70 1.01 -1.26 -2.39 116.67 115.38 1rjj s ASP 45 Ca -0.10 -0.18 -0.05 0.00 0.71 0.00 0.00 52.55 52.93 1rjj s ASP 45 Cb -0.03 -0.92 0.07 0.00 1.01 0.00 0.00 42.92 43.05 1rjj s ASP 45 CO 0.06 0.33 0.09 -0.54 0.21 0.00 0.00 175.17 175.32 1rjj s LYS 46 N -0.94 0.15 -0.34 8.23 3.01 -0.28 -4.93 119.74 124.64 1rjj s LYS 46 Ca 0.13 -0.21 0.15 0.00 -1.01 0.00 0.00 55.97 55.03 1rjj s LYS 46 Cb -0.11 -1.74 0.43 0.00 -1.01 0.00 0.00 37.83 35.41 1rjj s LYS 46 CO 0.02 -0.73 1.26 0.39 0.51 0.00 0.00 175.35 176.80 1rjj n GLU 47 N 5.25 1.32 -3.68 1.68 1.02 -1.26 -2.60 120.64 122.36 1rjj n GLU 47 Ca -0.07 -2.33 -0.15 0.00 -0.02 0.00 0.00 57.16 54.59 1rjj n GLU 47 Cb 0.47 -0.50 -0.15 0.00 -0.02 0.00 0.00 31.44 31.25 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rjj s SER 48 N -2.12 0.49 0.13 1.62 0.15 -1.26 -5.02 113.70 107.69 1rjj s SER 48 Ca 0.21 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1rjj s SER 48 Cb 0.41 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1rjj s SER 48 CO -0.06 -0.23 0.00 1.41 1.20 0.00 0.00 173.24 175.56 1rjj n HIS 49 N 5.15 -3.64 0.25 3.44 8.25 -1.26 -2.35 115.22 125.05 1rjj n HIS 49 Ca -0.09 2.19 0.08 0.00 -0.26 0.00 0.00 57.72 59.64 1rjj n HIS 49 Cb 0.50 -3.27 0.61 0.00 1.12 0.00 0.00 29.99 28.96 1rjj n HIS 49 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1rjj h ASP 50 N 3.16 0.00 0.41 0.41 3.32 -1.95 -2.46 116.42 119.30 1rjj h ASP 50 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1rjj h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1rjj h ASP 50 CO 0.00 0.10 -1.60 0.24 -1.72 0.00 0.00 179.24 176.26 1rjj h MET 51 N 0.00 0.24 0.00 3.56 2.86 -1.95 -3.10 114.93 116.55 1rjj h MET 51 Ca -0.00 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1rjj h MET 51 Cb 0.18 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1rjj h MET 51 CO 0.01 1.09 0.00 1.28 1.06 0.00 0.00 176.91 180.36 1rjj n LEU 52 N -3.44 0.85 0.00 1.22 4.77 -1.09 -4.05 117.00 115.25 1rjj n LEU 52 Ca -0.18 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1rjj n LEU 52 Cb 1.05 -0.36 0.33 0.00 -2.33 0.00 0.00 43.42 42.11 1rjj n LEU 52 CO 0.49 -0.36 0.59 0.54 -1.33 0.00 0.00 177.39 177.33 1rjj n ARG 53 N -1.57 0.66 0.00 3.23 3.00 -0.95 -4.77 116.66 116.26 1rjj n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1rjj n ARG 53 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.19 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1rjj n GLN 54 N -0.77 -1.28 -0.35 5.56 1.13 -1.17 -2.67 117.38 117.84 1rjj n GLN 54 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1rjj n GLN 54 Cb 0.04 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.48 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 0.32 0.00 0.51 1.08 0.00 -1.25 -4.69 105.19 101.15 1rjj n GLY 55 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.75 0.00 0.00 1.61 3.72 -1.09 -4.74 117.46 116.21 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 0.08 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 -3.15 0.00 -3.53 4.37 -1.04 -1.07 -3.19 114.28 106.66 1rjj n THR 57 Ca 0.22 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.10 1rjj n THR 57 Cb 1.47 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.93 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 0.00 -0.49 0.17 -1.42 5.65 -1.22 -1.12 115.29 116.86 1rjj s HIS 58 Ca 0.00 0.74 -0.04 0.00 0.25 0.00 0.00 55.06 56.01 1rjj s HIS 58 Cb 0.00 0.45 -0.03 0.00 -1.18 0.00 0.00 32.58 31.83 1rjj s HIS 58 CO 0.00 -0.51 0.18 0.00 -0.65 0.00 0.00 174.74 173.76 1rjj s ALA 59 N -1.61 0.62 -0.04 1.58 0.00 -1.01 -2.02 121.76 119.29 1rjj s ALA 59 Ca -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1rjj s ALA 59 Cb -0.00 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.19 1rjj s ALA 59 CO 0.02 -0.60 -0.04 -0.06 0.00 0.00 0.00 175.76 175.09 1rjj s PHE 60 N -4.06 0.63 -0.65 0.00 0.08 -0.86 -2.69 117.98 110.43 1rjj s PHE 60 Ca 0.27 -0.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.00 1rjj s PHE 60 Cb 0.05 -0.58 0.14 0.00 -0.57 0.00 0.00 43.02 42.07 1rjj s PHE 60 CO 0.05 -0.16 0.67 -1.54 -0.10 0.00 0.00 175.22 174.14 1rjj s SER 61 N 0.85 6.35 -0.31 1.36 1.04 -0.97 -2.47 113.70 119.56 1rjj s SER 61 Ca -0.11 -1.91 -0.14 0.00 0.48 0.00 0.00 55.95 54.28 1rjj s SER 61 Cb -0.14 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 1rjj s SER 61 CO -0.00 -0.89 0.30 -0.04 0.98 0.00 0.00 173.24 173.59 1rjj s MET 62 N 1.67 3.78 0.04 4.02 -1.94 0.26 -2.88 119.30 124.25 1rjj s MET 62 Ca 0.11 -0.31 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 1rjj s MET 62 Cb -0.22 -3.73 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 1rjj s MET 62 CO 0.00 -0.35 -0.23 0.99 -0.01 0.00 0.00 175.02 175.42 1rjj s THR 63 N 1.91 1.86 0.24 2.05 2.01 -0.29 0.25 115.64 123.67 1rjj s THR 63 Ca 0.10 -1.27 0.10 0.00 0.31 0.00 0.00 61.69 60.93 1rjj s THR 63 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1rjj s THR 63 CO 0.11 0.27 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 1rjj s PHE 64 N -0.80 2.08 0.06 4.92 0.08 0.92 0.57 117.98 125.82 1rjj s PHE 64 Ca 0.09 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.78 1rjj s PHE 64 Cb -0.09 -0.94 -0.23 0.00 -0.57 0.00 0.00 43.02 41.19 1rjj s PHE 64 CO 0.02 0.57 1.07 1.49 -0.10 0.00 0.00 175.22 178.27 1rjj h GLU 65 N 2.51 0.07 -2.83 0.44 4.57 -0.69 -0.48 114.58 118.18 1rjj h GLU 65 Ca -0.40 -0.12 0.09 0.00 -1.18 0.00 0.00 59.36 57.75 1rjj h GLU 65 Cb 1.24 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.81 1rjj h GLU 65 CO 0.59 0.94 0.30 -0.80 -1.18 0.00 0.00 179.01 178.86 1rjj s ASN 66 N -6.68 -0.26 0.64 1.04 0.01 -1.26 -4.59 114.94 103.85 1rjj s ASN 66 Ca -0.02 -0.52 0.33 0.00 -0.71 0.00 0.00 52.86 51.93 1rjj s ASN 66 Cb 0.09 0.66 1.78 0.00 0.41 0.00 0.00 41.25 44.19 1rjj s ASN 66 CO 0.83 -1.21 2.04 0.07 -1.51 0.00 0.00 177.10 177.32 1rjj h LYS 67 N 2.00 0.00 -0.97 -0.60 2.10 -1.98 -2.36 116.57 114.76 1rjj h LYS 67 Ca -0.21 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.52 1rjj h LYS 67 Cb 1.25 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.51 1rjj h LYS 67 CO 0.24 0.00 0.61 -0.44 -2.00 0.00 0.00 179.45 177.87 1rjj h ASP 68 N 0.00 0.96 -0.15 7.07 3.32 -1.98 -0.27 116.42 125.36 1rjj h ASP 68 Ca 0.04 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1rjj h ASP 68 Cb 0.56 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1rjj h ASP 68 CO -0.00 0.59 -0.45 1.23 -1.72 0.00 0.00 179.24 178.89 1rjj h GLY 69 N 1.08 0.77 0.95 2.75 0.00 -1.74 -1.85 103.07 105.03 1rjj h GLY 69 Ca 0.44 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1rjj h GLY 69 CO -0.20 0.74 0.19 -1.82 0.00 0.00 0.00 176.54 175.45 1rjj h TYR 70 N 0.57 0.60 0.00 5.60 3.20 -1.29 -0.85 116.97 124.80 1rjj h TYR 70 Ca 0.04 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1rjj h TYR 70 Cb 1.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1rjj h TYR 70 CO 0.05 0.51 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.21 1rjj h VAL 71 N 0.52 1.24 0.69 1.81 -1.51 -1.07 -3.03 116.25 114.91 1rjj h VAL 71 Ca 0.14 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.87 1rjj h VAL 71 Cb 0.14 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1rjj h VAL 71 CO -0.02 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.46 1rjj h ALA 72 N 1.52 -1.00 -0.97 5.19 0.00 -0.73 0.45 119.26 123.72 1rjj h ALA 72 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 1rjj h ALA 72 Cb 0.91 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1rjj h ALA 72 CO 0.06 -0.93 0.61 0.35 0.00 0.00 0.00 179.25 179.34 1rjj h PHE 73 N -1.16 0.84 0.08 0.00 3.57 -1.21 -0.56 116.94 118.50 1rjj h PHE 73 Ca -0.10 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.14 1rjj h PHE 73 Cb 0.71 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1rjj h PHE 73 CO 0.02 0.21 -1.50 0.00 -2.23 0.00 0.00 178.31 174.80 1rjj h THR 74 N 0.62 1.16 0.00 4.41 1.03 -1.48 -3.33 112.91 115.32 1rjj h THR 74 Ca 0.53 -2.86 -0.07 0.00 -0.01 0.00 0.00 66.41 64.01 1rjj h THR 74 Cb 1.01 2.70 -0.01 0.00 -1.07 0.00 0.00 68.15 70.78 1rjj h THR 74 CO -0.29 0.78 -0.32 -1.28 -0.01 0.00 0.00 175.52 174.41 1rjj h SER 75 N 0.04 0.00 -3.16 0.00 0.87 0.86 -3.43 113.55 108.74 1rjj h SER 75 Ca -0.22 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.76 1rjj h SER 75 Cb 1.98 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.88 1rjj h SER 75 CO 0.14 0.32 0.68 -1.00 -0.53 0.00 0.00 176.83 176.43 1rjj s HIS 76 N -3.68 3.38 0.13 2.24 3.76 -0.31 -4.87 115.29 115.94 1rjj s HIS 76 Ca -0.00 1.43 0.03 0.00 -0.15 0.00 0.00 55.06 56.37 1rjj s HIS 76 Cb 0.11 -3.20 0.15 0.00 1.11 0.00 0.00 32.58 30.74 1rjj s HIS 76 CO 0.67 -0.40 0.82 -2.30 -0.85 0.00 0.00 174.74 172.67 1rjj n PRO 77 N 5.94 0.03 0.25 8.40 -0.02 -1.26 -1.06 135.00 147.27 1rjj n PRO 77 Ca 0.10 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1rjj n PRO 77 Cb 0.47 -2.14 0.65 0.00 -0.02 0.00 0.00 33.50 32.45 1rjj n PRO 77 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rjj h LEU 78 N 0.00 0.00 0.01 2.45 5.85 -1.89 -2.64 115.31 119.09 1rjj h LEU 78 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1rjj h LEU 78 Cb 1.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1rjj h LEU 78 CO 0.00 0.14 -1.14 -0.74 -0.34 0.00 0.00 178.44 176.36 1rjj h HIS 79 N 0.00 0.04 0.94 1.25 2.76 -1.26 -3.16 115.15 115.72 1rjj h HIS 79 Ca -0.00 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 1rjj h HIS 79 Cb 0.31 -0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.27 1rjj h HIS 79 CO 0.00 1.03 -0.45 0.28 -1.30 0.00 0.00 177.93 177.48 1rjj h VAL 80 N 0.01 0.00 -0.99 5.26 2.07 -1.65 0.33 116.25 121.28 1rjj h VAL 80 Ca -0.07 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.56 1rjj h VAL 80 Cb 1.83 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.50 1rjj h VAL 80 CO 0.13 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.24 1rjj h GLU 81 N -1.32 0.82 -0.21 1.57 4.81 -1.70 0.20 114.58 118.75 1rjj h GLU 81 Ca -0.13 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1rjj h GLU 81 Cb 0.97 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1rjj h GLU 81 CO 0.21 0.54 -0.23 0.35 -0.73 0.00 0.00 179.01 179.16 1rjj h PHE 82 N 0.85 0.42 -0.57 0.92 3.57 -1.45 -2.96 116.94 117.71 1rjj h PHE 82 Ca 0.54 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 1rjj h PHE 82 Cb 0.71 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1rjj h PHE 82 CO -0.01 0.58 0.33 0.66 -2.23 0.00 0.00 178.31 177.64 1rjj h SER 83 N 0.34 0.71 -0.84 0.41 4.64 0.29 -0.49 113.55 118.60 1rjj h SER 83 Ca 0.05 -0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.41 1rjj h SER 83 Cb 0.59 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.44 1rjj h SER 83 CO 0.04 0.58 0.55 0.00 -0.87 0.00 0.00 176.83 177.13 1rjj h ALA 84 N 1.15 1.76 -0.22 5.18 0.00 -1.29 -0.12 119.26 125.72 1rjj h ALA 84 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1rjj h ALA 84 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rjj h ALA 84 CO -0.03 0.05 -0.61 0.00 0.00 0.00 0.00 179.25 178.65 1rjj h ALA 85 N 1.59 0.38 -0.86 0.00 0.00 -1.35 -2.78 119.26 116.23 1rjj h ALA 85 Ca 0.40 -0.54 0.34 0.00 0.00 0.00 0.00 54.91 55.12 1rjj h ALA 85 Cb 0.53 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.11 1rjj h ALA 85 CO -0.17 0.64 0.40 1.97 0.00 0.00 0.00 179.25 182.09 1rjj n PHE 86 N -4.02 0.94 -0.05 0.00 1.16 -0.06 0.12 117.46 115.55 1rjj n PHE 86 Ca -0.06 1.02 -0.01 0.00 -1.87 0.00 0.00 57.45 56.54 1rjj n PHE 86 Cb 0.66 -1.39 -0.00 0.00 -1.61 0.00 0.00 39.48 37.13 1rjj n PHE 86 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1rjj h THR 87 N 0.00 0.00 0.00 1.97 2.02 -1.53 0.10 112.91 115.47 1rjj h THR 87 Ca 0.70 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1rjj h THR 87 Cb 1.82 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1rjj h THR 87 CO -0.69 0.00 0.29 0.00 0.37 0.00 0.00 175.52 175.50 1rjj n ALA 88 N -2.91 0.43 -0.05 6.16 0.00 0.63 0.33 120.51 125.09 1rjj n ALA 88 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rjj n ALA 88 Cb 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1rjj n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rjj n VAL 89 N -1.25 0.00 -4.30 0.00 0.24 0.33 -5.00 118.33 108.36 1rjj n VAL 89 Ca -0.00 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.76 1rjj n VAL 89 Cb 0.29 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.61 1rjj n VAL 89 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rjj s ILE 90 N -0.60 1.13 0.00 1.34 1.01 0.15 -4.27 121.20 119.96 1rjj s ILE 90 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 58.60 1rjj s ILE 90 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1rjj s ILE 90 CO 0.00 -0.51 0.00 -0.67 0.00 0.00 0.00 174.94 173.76 1rjj n ASP 91 N -0.32 4.64 -3.84 3.58 2.03 -0.84 -4.63 116.55 117.17 1rjj n ASP 91 Ca -0.07 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.11 1rjj n ASP 91 Cb 0.62 0.74 -0.14 0.00 -0.72 0.00 0.00 41.12 41.63 1rjj n ASP 91 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1rjj s LYS 92 N -1.88 0.07 -0.08 -0.67 2.20 -1.21 -4.99 119.74 113.17 1rjj s LYS 92 Ca 0.00 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1rjj s LYS 92 Cb 0.00 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.35 1rjj s LYS 92 CO 0.00 -0.02 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.36 1rjj s ILE 93 N 0.14 1.10 -0.05 5.43 1.10 -1.26 -3.41 121.20 124.24 1rjj s ILE 93 Ca -0.01 -0.43 0.03 0.00 -0.51 0.00 0.00 60.65 59.73 1rjj s ILE 93 Cb -0.02 -1.04 0.01 0.00 0.15 0.00 0.00 42.46 41.56 1rjj s ILE 93 CO -0.00 0.36 -0.13 -0.69 -2.11 0.00 0.00 174.94 172.36 1rjj s VAL 94 N 0.94 1.18 -0.02 4.00 1.01 -1.02 -5.00 120.40 121.49 1rjj s VAL 94 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1rjj s VAL 94 Cb -0.15 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1rjj s VAL 94 CO 0.00 0.36 -0.01 -0.76 0.00 0.00 0.00 175.10 174.69 1rjj s LEU 95 N 0.41 1.40 -0.19 3.92 1.02 -1.26 -1.28 118.68 122.70 1rjj s LEU 95 Ca -0.10 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 1rjj s LEU 95 Cb -0.14 -0.21 0.00 0.00 0.02 0.00 0.00 46.19 45.86 1rjj s LEU 95 CO 0.03 -0.06 -0.12 -0.76 0.02 0.00 0.00 176.35 175.45 1rjj s LEU 96 N 0.72 2.53 -0.10 1.79 1.02 -0.22 -4.95 118.68 119.47 1rjj s LEU 96 Ca -0.07 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1rjj s LEU 96 Cb -0.10 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.51 1rjj s LEU 96 CO -0.01 0.01 -0.18 -1.81 0.02 0.00 0.00 176.35 174.38 1rjj s ASP 97 N 1.25 2.56 -0.28 2.29 1.01 -1.26 -1.88 116.67 120.36 1rjj s ASP 97 Ca 0.03 -0.46 -0.18 0.00 0.71 0.00 0.00 52.55 52.66 1rjj s ASP 97 Cb -0.14 -1.17 0.12 0.00 1.01 0.00 0.00 42.92 42.74 1rjj s ASP 97 CO -0.06 0.08 0.87 0.12 0.21 0.00 0.00 175.17 176.39 1rjj s PHE 98 N 0.64 -0.74 0.14 4.23 5.36 -0.94 -5.02 117.98 121.65 1rjj s PHE 98 Ca -0.13 1.53 -0.34 0.00 -0.96 0.00 0.00 56.93 57.03 1rjj s PHE 98 Cb -0.16 0.44 -0.16 0.00 -0.34 0.00 0.00 43.02 42.80 1rjj s PHE 98 CO 0.04 -0.37 1.17 -2.30 -1.46 0.00 0.00 175.22 172.30 1rjj n PRO 99 N 3.69 1.04 -5.00 10.12 -0.02 -1.26 -3.21 135.00 140.36 1rjj n PRO 99 Ca -0.18 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1rjj n PRO 99 Cb 0.58 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1rjj n PRO 99 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rjj s VAL 100 N -0.06 2.51 -1.02 -1.45 -7.23 -0.52 -4.87 120.40 107.76 1rjj s VAL 100 Ca 0.76 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1rjj s VAL 100 Cb -0.90 -1.96 0.30 0.00 0.56 0.00 0.00 36.38 34.37 1rjj s VAL 100 CO 0.51 0.51 1.34 0.00 -0.31 0.00 0.00 175.10 177.15 1rjj n ALA 101 N 2.14 4.94 -1.51 1.32 0.00 -1.26 -2.69 120.51 123.44 1rjj n ALA 101 Ca -0.16 -4.79 -0.13 0.00 0.00 0.00 0.00 53.44 48.36 1rjj n ALA 101 Cb 0.52 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 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 1.36 0.28 0.00 0.00 0.00 -1.26 -4.20 120.51 116.68 1rjj n ALA 102 Ca 0.26 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1rjj n ALA 102 Cb 0.35 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 8.47 0.00 -3.04 0.00 0.24 -1.26 -5.00 118.33 117.74 1rjj n VAL 103 Ca 0.39 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1rjj n VAL 103 Cb 0.45 0.59 -0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.81 -1.38 -0.31 7.34 4.01 -1.26 -4.46 118.16 121.29 1rjj n LYS 104 Ca 0.00 1.42 -0.06 0.00 -0.51 0.00 0.00 58.31 59.16 1rjj n LYS 104 Cb 0.00 -1.93 -0.03 0.00 -0.51 0.00 0.00 35.03 32.56 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1rjj n SER 105 N 1.57 1.81 -1.62 4.39 7.64 -1.26 -4.48 113.62 121.67 1rjj n SER 105 Ca -0.04 -1.92 -0.07 0.00 1.01 0.00 0.00 58.87 57.86 1rjj n SER 105 Cb 0.31 -0.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1rjj n SER 105 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rjj n SER 106 N 3.56 5.53 -0.05 6.43 2.88 -1.26 -4.01 113.62 126.69 1rjj n SER 106 Ca 0.16 -2.64 -0.22 0.00 -1.33 0.00 0.00 58.87 54.83 1rjj n SER 106 Cb 0.18 -1.04 -0.13 0.00 -0.75 0.00 0.00 64.21 62.47 1rjj n SER 106 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rjj n VAL 107 N 0.93 1.66 -3.82 2.46 3.14 -1.26 -4.96 118.33 116.47 1rjj n VAL 107 Ca 0.12 -0.41 -0.12 0.00 -2.96 0.00 0.00 64.34 60.97 1rjj n VAL 107 Cb 0.55 -1.83 -0.12 0.00 -1.06 0.00 0.00 33.84 31.38 1rjj n VAL 107 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1rjj s VAL 108 N -2.48 0.01 -0.23 1.55 0.11 -1.26 -5.13 120.40 112.97 1rjj s VAL 108 Ca -0.27 -0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1rjj s VAL 108 Cb 0.07 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1rjj s VAL 108 CO 0.68 -0.03 -0.04 0.00 -3.33 0.00 0.00 175.10 172.38 1rjj s ALA 109 N -0.02 2.82 0.51 1.54 0.00 -1.26 -5.08 121.76 120.26 1rjj s ALA 109 Ca -0.01 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 1rjj s ALA 109 Cb -0.02 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1rjj s ALA 109 CO 0.00 -0.47 1.00 0.95 0.00 0.00 0.00 175.76 177.24 1rjj s THR 110 N 1.47 4.20 -2.00 0.00 -4.23 -1.26 -5.27 115.64 108.55 1rjj s THR 110 Ca 0.05 1.18 0.26 0.00 -1.18 0.00 0.00 61.69 62.00 1rjj s THR 110 Cb -0.14 -3.57 0.74 0.00 1.34 0.00 0.00 72.50 70.87 1rjj s THR 110 CO -0.03 -0.49 1.91 -0.81 -0.54 0.00 0.00 174.62 174.66