#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 0.00 0.00 -5.12 0.00 -1.26 -4.87 120.51 109.26 1rjj n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rjj n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 5.66 -1.26 -4.75 114.28 113.93 1rjj n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rjj n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.28 0.00 -3.55 1.09 7.64 -1.26 -5.05 113.62 113.77 1rjj n SER 4 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1rjj n SER 4 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 2.13 -0.11 0.23 0.00 -1.25 -4.54 107.32 103.78 1rjj s GLY 5 Ca 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 44.72 42.74 1rjj s GLY 5 CO 0.00 -1.46 -0.13 -1.36 0.00 0.00 0.00 173.10 170.15 1rjj s PHE 6 N -3.61 2.79 -0.10 1.90 0.08 -0.60 -3.01 117.98 115.42 1rjj s PHE 6 Ca 0.40 -0.56 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 1rjj s PHE 6 Cb 0.03 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1rjj s PHE 6 CO 0.24 -0.14 -0.00 0.21 -0.10 0.00 0.00 175.22 175.43 1rjj s LYS 7 N 0.15 3.17 -0.06 0.44 2.20 -1.23 -0.61 119.74 123.80 1rjj s LYS 7 Ca -0.07 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1rjj s LYS 7 Cb -0.15 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1rjj s LYS 7 CO 0.05 0.60 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.95 1rjj s HIS 8 N -0.59 1.31 0.02 4.03 5.65 0.95 -3.01 115.29 123.65 1rjj s HIS 8 Ca 0.10 -0.48 0.03 0.00 0.25 0.00 0.00 55.06 54.95 1rjj s HIS 8 Cb -0.12 -1.00 -0.02 0.00 -1.18 0.00 0.00 32.58 30.27 1rjj s HIS 8 CO 0.02 -0.28 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.58 1rjj s LEU 9 N 0.80 2.14 -0.05 8.88 0.20 -0.99 -1.21 118.68 128.44 1rjj s LEU 9 Ca -0.12 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.38 1rjj s LEU 9 Cb -0.15 -0.33 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1rjj s LEU 9 CO 0.02 -0.04 -0.17 0.54 -0.29 0.00 0.00 176.35 176.42 1rjj s VAL 10 N -0.76 1.42 -0.12 1.68 0.11 -1.18 -1.57 120.40 119.97 1rjj s VAL 10 Ca -0.02 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1rjj s VAL 10 Cb -0.06 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1rjj s VAL 10 CO 0.00 0.41 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.31 1rjj s VAL 11 N 0.21 2.51 0.09 2.04 1.01 0.23 -2.81 120.40 123.69 1rjj s VAL 11 Ca -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1rjj s VAL 11 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1rjj s VAL 11 CO 0.03 0.54 -0.01 0.68 0.00 0.00 0.00 175.10 176.34 1rjj s VAL 12 N 0.46 0.29 0.13 2.92 -7.23 -1.08 -1.53 120.40 114.35 1rjj s VAL 12 Ca -0.13 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1rjj s VAL 12 Cb -0.17 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1rjj s VAL 12 CO 0.06 -0.79 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.11 1rjj s LYS 13 N -3.94 1.18 0.14 4.82 2.47 -1.19 -1.95 119.74 121.27 1rjj s LYS 13 Ca 0.14 -1.26 0.07 0.00 -1.56 0.00 0.00 55.97 53.35 1rjj s LYS 13 Cb 0.07 -1.35 -0.04 0.00 -1.46 0.00 0.00 37.83 35.05 1rjj s LYS 13 CO -0.05 0.30 -0.03 -0.59 0.16 0.00 0.00 175.35 175.14 1rjj s PHE 14 N -1.54 2.84 0.00 4.03 -0.71 -1.26 -1.79 117.98 119.55 1rjj s PHE 14 Ca 0.10 -0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 1rjj s PHE 14 Cb -0.08 -1.42 0.00 0.00 -1.21 0.00 0.00 43.02 40.31 1rjj s PHE 14 CO 0.05 0.49 0.00 0.36 -1.34 0.00 0.00 175.22 174.78 1rjj n LYS 15 N 0.22 2.37 -0.09 1.99 2.85 -1.26 -4.81 118.16 119.43 1rjj n LYS 15 Ca -0.11 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.00 1rjj n LYS 15 Cb 0.54 -0.81 -0.08 0.00 -0.65 0.00 0.00 35.03 34.03 1rjj n LYS 15 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1rjj h GLU 16 N 0.00 0.00 0.00 -1.58 4.81 -1.91 -3.49 114.58 112.41 1rjj h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rjj h GLU 16 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1rjj h GLU 16 CO 0.00 0.64 0.00 -3.47 -0.73 0.00 0.00 179.01 175.45 1rjj n ASP 17 N -4.50 0.00 -4.53 1.04 2.03 -1.26 -5.09 116.55 104.24 1rjj n ASP 17 Ca -0.23 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.61 1rjj n ASP 17 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.29 -2.57 5.18 -1.04 -1.26 -4.85 114.28 110.03 1rjj n THR 18 Ca 0.00 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 1rjj n THR 18 Cb 0.00 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 66.47 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 6.05 3.73 0.44 -2.82 3.01 -1.26 -4.79 119.74 124.10 1rjj s LYS 19 Ca 1.05 -1.44 0.12 0.00 -1.01 0.00 0.00 55.97 54.69 1rjj s LYS 19 Cb -0.64 -5.42 1.00 0.00 -1.01 0.00 0.00 37.83 31.76 1rjj s LYS 19 CO 0.44 -2.22 2.02 -0.39 0.51 0.00 0.00 175.35 175.71 1rjj h VAL 20 N 6.35 0.97 -0.47 3.17 -1.51 -1.99 -1.23 116.25 121.55 1rjj h VAL 20 Ca 0.29 -0.14 -0.09 0.00 -1.23 0.00 0.00 66.70 65.53 1rjj h VAL 20 Cb 0.96 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1rjj h VAL 20 CO 1.44 0.08 -0.07 0.44 -1.23 0.00 0.00 177.57 178.22 1rjj h ASP 21 N 0.41 0.81 0.03 4.19 3.32 -1.99 0.40 116.42 123.60 1rjj h ASP 21 Ca 0.21 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1rjj h ASP 21 Cb 0.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1rjj h ASP 21 CO -0.05 0.92 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.79 1rjj h GLU 22 N 0.75 0.53 -0.79 3.56 4.81 -1.67 -2.10 114.58 119.67 1rjj h GLU 22 Ca 0.13 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1rjj h GLU 22 Cb 0.56 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1rjj h GLU 22 CO 0.03 0.92 0.39 0.82 -0.73 0.00 0.00 179.01 180.44 1rjj h ILE 23 N 0.42 1.25 -0.87 2.32 1.08 -0.81 -0.59 117.51 120.30 1rjj h ILE 23 Ca 0.02 -0.69 0.17 0.00 -0.39 0.00 0.00 64.86 63.97 1rjj h ILE 23 Cb 1.04 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.96 1rjj h ILE 23 CO 0.10 0.29 0.57 0.25 -0.69 0.00 0.00 178.15 178.67 1rjj h LEU 24 N 1.12 0.51 -1.99 1.44 5.85 0.47 0.96 115.31 123.66 1rjj h LEU 24 Ca 0.27 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.12 1rjj h LEU 24 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1rjj h LEU 24 CO -0.04 0.24 0.23 0.50 -0.34 0.00 0.00 178.44 179.03 1rjj h LYS 25 N 0.52 0.01 0.02 1.25 1.63 -0.70 0.91 116.57 120.23 1rjj h LYS 25 Ca 0.44 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.10 1rjj h LYS 25 Cb 0.92 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1rjj h LYS 25 CO -0.18 0.01 -0.57 0.78 -3.45 0.00 0.00 179.45 176.03 1rjj h GLY 26 N 0.01 0.39 -0.05 5.01 0.00 0.91 -3.09 103.07 106.25 1rjj h GLY 26 Ca 0.15 -0.73 0.05 0.00 0.00 0.00 0.00 47.33 46.81 1rjj h GLY 26 CO -0.00 0.64 -0.39 -2.00 0.00 0.00 0.00 176.54 174.78 1rjj h LEU 27 N -0.23 -1.25 -1.46 3.11 6.46 0.08 1.02 115.31 123.04 1rjj h LEU 27 Ca -0.08 0.18 0.21 0.00 -0.12 0.00 0.00 57.88 58.07 1rjj h LEU 27 Cb 1.32 0.53 -0.07 0.00 -0.73 0.00 0.00 40.66 41.71 1rjj h LEU 27 CO 0.11 -0.39 0.61 1.05 -0.62 0.00 0.00 178.44 179.21 1rjj h GLU 28 N -0.41 0.42 -0.19 1.25 4.11 -1.33 0.61 114.58 119.04 1rjj h GLU 28 Ca 0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.47 1rjj h GLU 28 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1rjj h GLU 28 CO -0.44 0.27 -0.04 -0.91 0.07 0.00 0.00 179.01 177.96 1rjj h ASN 29 N 0.43 0.36 -0.56 3.06 2.35 0.74 -2.90 115.58 119.06 1rjj h ASN 29 Ca 0.50 -0.36 0.11 0.00 -0.55 0.00 0.00 56.30 56.00 1rjj h ASN 29 Cb 1.21 -0.10 -0.11 0.00 0.05 0.00 0.00 38.32 39.37 1rjj h ASN 29 CO -0.21 0.63 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.93 1rjj h LEU 30 N 0.08 -0.74 -1.59 1.61 -0.00 0.62 0.94 115.31 116.23 1rjj h LEU 30 Ca 0.05 0.19 0.29 0.00 -0.00 0.00 0.00 57.88 58.41 1rjj h LEU 30 Cb 0.47 0.43 -0.08 0.00 -0.00 0.00 0.00 40.66 41.48 1rjj h LEU 30 CO 0.02 -0.24 0.72 0.58 -0.00 0.00 0.00 178.44 179.51 1rjj h VAL 31 N -0.08 0.49 -0.74 1.22 2.07 -0.99 0.22 116.25 118.44 1rjj h VAL 31 Ca 0.26 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 67.84 1rjj h VAL 31 Cb 0.48 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 1rjj h VAL 31 CO -0.61 0.05 -0.19 0.28 0.02 0.00 0.00 177.57 177.11 1rjj h SER 32 N 0.25 -0.72 0.04 0.57 0.02 0.10 2.07 113.55 115.88 1rjj h SER 32 Ca 0.57 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.75 1rjj h SER 32 Cb 1.73 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.74 1rjj h SER 32 CO -0.19 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.25 1rjj n GLN 33 N -5.49 0.20 -1.21 3.45 1.13 0.76 -2.84 117.38 113.38 1rjj n GLN 33 Ca 0.10 0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 55.07 1rjj n GLN 33 Cb 0.38 -1.50 0.14 0.00 0.11 0.00 0.00 30.24 29.36 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rjj n ILE 34 N -1.08 2.74 0.02 5.09 5.41 0.70 -4.55 119.36 127.69 1rjj n ILE 34 Ca 0.05 -3.14 0.01 0.00 1.00 0.00 0.00 62.75 60.67 1rjj n ILE 34 Cb 0.03 -0.66 0.05 0.00 -0.71 0.00 0.00 39.64 38.35 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1rjj n ASP 35 N -0.99 0.05 -0.24 4.38 2.03 -1.13 0.28 116.55 120.93 1rjj n ASP 35 Ca 0.41 0.43 0.15 0.00 0.52 0.00 0.00 54.79 56.30 1rjj n ASP 35 Cb 0.98 -0.43 0.65 0.00 -0.72 0.00 0.00 41.12 41.60 1rjj n ASP 35 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1rjj n THR 36 N -1.48 0.00 -3.87 5.18 5.66 -1.26 -4.89 114.28 113.61 1rjj n THR 36 Ca -0.00 -0.12 -0.33 0.00 -3.05 0.00 0.00 64.05 60.54 1rjj n THR 36 Cb 0.10 0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.50 0.00 -2.07 1.08 0.24 0.81 -4.71 118.33 113.19 1rjj n VAL 37 Ca 0.19 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.22 1rjj n VAL 37 Cb 0.27 -0.39 0.02 0.00 -1.47 0.00 0.00 33.84 32.27 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 -3.27 3.43 -3.81 7.34 5.02 -1.26 -4.99 118.16 120.61 1rjj n LYS 38 Ca 0.09 -4.14 0.01 0.00 -2.02 0.00 0.00 58.31 52.26 1rjj n LYS 38 Cb 0.35 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.09 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 -3.27 -0.03 0.07 4.39 0.01 -1.26 -0.34 113.70 113.26 1rjj s SER 39 Ca 0.52 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 1rjj s SER 39 Cb 0.42 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.89 1rjj s SER 39 CO -0.05 -0.44 0.23 -0.36 0.41 0.00 0.00 173.24 173.03 1rjj s PHE 40 N -2.28 0.04 -0.24 2.43 0.08 0.28 -4.82 117.98 113.46 1rjj s PHE 40 Ca 0.21 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 1rjj s PHE 40 Cb 0.01 0.00 0.10 0.00 -0.57 0.00 0.00 43.02 42.56 1rjj s PHE 40 CO -0.01 -0.51 0.55 -1.21 -0.10 0.00 0.00 175.22 173.94 1rjj s GLU 41 N -3.15 0.50 0.38 0.44 8.01 -1.25 -0.79 118.70 122.84 1rjj s GLU 41 Ca -0.01 1.17 0.04 0.00 0.01 0.00 0.00 54.97 56.19 1rjj s GLU 41 Cb 0.01 0.41 -0.06 0.00 -4.31 0.00 0.00 34.13 30.19 1rjj s GLU 41 CO -0.07 -0.20 0.05 -0.46 0.01 0.00 0.00 175.26 174.59 1rjj s TRP 42 N 2.29 2.06 0.13 1.61 -0.11 -1.08 -4.97 118.94 118.86 1rjj s TRP 42 Ca -0.06 -0.94 0.06 0.00 1.22 0.00 0.00 56.10 56.37 1rjj s TRP 42 Cb -0.10 -1.42 -0.04 0.00 -1.50 0.00 0.00 33.47 30.41 1rjj s TRP 42 CO -0.16 0.09 -0.13 0.20 -4.62 0.00 0.00 176.95 172.33 1rjj s GLY 43 N -3.60 1.06 -0.13 5.86 0.00 -1.26 -3.01 107.32 106.23 1rjj s GLY 43 Ca 0.31 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 1rjj s GLY 43 CO 0.14 -1.38 0.33 -0.54 0.00 0.00 0.00 173.10 171.65 1rjj s GLU 44 N -2.85 0.36 -0.02 2.90 0.41 -1.00 -4.99 118.70 113.51 1rjj s GLU 44 Ca 0.10 0.53 0.03 0.00 -0.41 0.00 0.00 54.97 55.21 1rjj s GLU 44 Cb -0.04 0.10 -0.03 0.00 -1.78 0.00 0.00 34.13 32.38 1rjj s GLU 44 CO 0.03 -0.08 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.12 1rjj s ASP 45 N 0.56 4.52 -0.19 -0.19 1.01 -1.26 -1.37 116.67 119.76 1rjj s ASP 45 Ca -0.03 -0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.04 1rjj s ASP 45 Cb -0.05 -1.05 0.07 0.00 1.01 0.00 0.00 42.92 42.91 1rjj s ASP 45 CO -0.03 0.31 0.13 -1.59 0.21 0.00 0.00 175.17 174.19 1rjj s LYS 46 N -1.21 0.11 -0.32 8.23 -2.85 0.54 -4.88 119.74 119.36 1rjj s LYS 46 Ca 0.15 -0.02 0.17 0.00 -1.00 0.00 0.00 55.97 55.27 1rjj s LYS 46 Cb -0.11 -1.61 0.45 0.00 -2.06 0.00 0.00 37.83 34.50 1rjj s LYS 46 CO 0.05 -0.69 1.17 0.39 0.10 0.00 0.00 175.35 176.38 1rjj n GLU 47 N 5.29 1.37 -4.02 1.78 -0.58 -1.26 -3.52 120.64 119.69 1rjj n GLU 47 Ca -0.06 -2.73 -0.23 0.00 -0.42 0.00 0.00 57.16 53.72 1rjj n GLU 47 Cb 0.49 -0.86 -0.17 0.00 -0.57 0.00 0.00 31.44 30.33 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1rjj s SER 48 N -2.65 1.50 0.14 1.62 0.15 -1.26 -5.02 113.70 108.19 1rjj s SER 48 Ca 0.23 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1rjj s SER 48 Cb 0.40 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1rjj s SER 48 CO -0.04 -0.11 0.00 1.41 1.20 0.00 0.00 173.24 175.71 1rjj n HIS 49 N 4.58 -4.88 -0.26 3.44 8.25 -1.26 -2.67 115.22 122.41 1rjj n HIS 49 Ca -0.16 2.93 -0.01 0.00 -0.26 0.00 0.00 57.72 60.22 1rjj n HIS 49 Cb 0.50 -3.73 0.19 0.00 1.12 0.00 0.00 29.99 28.08 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 4.24 0.96 0.08 0.41 3.58 -1.95 0.54 116.42 124.29 1rjj h ASP 50 Ca 0.00 -0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1rjj h ASP 50 Cb 0.00 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1rjj h ASP 50 CO 0.00 0.71 -0.55 0.00 -2.88 0.00 0.00 179.24 176.52 1rjj h MET 51 N 1.12 0.49 0.00 0.28 -0.00 -1.94 -2.96 114.93 111.92 1rjj h MET 51 Ca 0.30 -0.31 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1rjj h MET 51 Cb -0.09 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 31.54 1rjj h MET 51 CO -0.06 0.91 -0.04 -0.07 -0.00 0.00 0.00 176.91 177.65 1rjj h LEU 52 N 0.38 0.00 -0.47 -0.10 3.38 -1.68 -3.29 115.31 113.53 1rjj h LEU 52 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rjj h LEU 52 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1rjj h LEU 52 CO 0.10 0.61 0.00 -2.11 0.09 0.00 0.00 178.44 177.13 1rjj n ARG 53 N -4.74 0.18 -0.13 1.13 1.85 0.15 -4.68 116.66 110.41 1rjj n ARG 53 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1rjj n ARG 53 Cb 0.10 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 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 -0.07 -0.92 0.00 2.89 6.02 -1.13 -1.37 117.38 122.80 1rjj n GLN 54 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1rjj n GLN 54 Cb 0.02 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.05 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rjj n GLY 55 N 0.33 2.87 0.00 1.08 0.00 -1.15 -5.00 105.19 103.33 1rjj n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 0.00 1.61 3.01 -0.47 -4.95 117.46 114.66 1rjj n PHE 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1rjj n PHE 56 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1rjj n PHE 56 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1rjj n THR 57 N 0.00 0.00 -3.55 4.37 5.66 -0.82 -4.81 114.28 115.13 1rjj n THR 57 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1rjj n THR 57 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1rjj s HIS 58 N -0.92 -0.36 0.20 1.09 5.65 -1.23 0.20 115.29 119.92 1rjj s HIS 58 Ca 0.00 0.49 -0.04 0.00 0.25 0.00 0.00 55.06 55.76 1rjj s HIS 58 Cb 0.00 0.48 -0.03 0.00 -1.18 0.00 0.00 32.58 31.85 1rjj s HIS 58 CO 0.00 -0.40 0.19 0.00 -0.65 0.00 0.00 174.74 173.88 1rjj s ALA 59 N -1.79 0.81 -0.06 1.58 0.00 -0.47 -2.62 121.76 119.21 1rjj s ALA 59 Ca 0.01 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1rjj s ALA 59 Cb -0.01 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.37 1rjj s ALA 59 CO -0.02 -0.63 -0.07 -0.06 0.00 0.00 0.00 175.76 174.98 1rjj s PHE 60 N -4.11 1.05 -0.55 0.00 0.08 -1.12 -2.36 117.98 110.97 1rjj s PHE 60 Ca 0.33 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 1rjj s PHE 60 Cb 0.05 -0.86 0.13 0.00 -0.57 0.00 0.00 43.02 41.78 1rjj s PHE 60 CO 0.09 -0.25 0.50 0.45 -0.10 0.00 0.00 175.22 175.91 1rjj s SER 61 N 0.95 6.19 -0.24 1.36 0.15 -1.17 -3.11 113.70 117.84 1rjj s SER 61 Ca -0.10 -1.82 -0.09 0.00 0.70 0.00 0.00 55.95 54.65 1rjj s SER 61 Cb -0.15 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1rjj s SER 61 CO 0.00 -0.85 0.11 -0.04 1.20 0.00 0.00 173.24 173.67 1rjj s MET 62 N 1.56 3.87 0.06 5.44 -1.94 -0.35 -2.63 119.30 125.30 1rjj s MET 62 Ca 0.03 -0.37 0.08 0.00 -1.71 0.00 0.00 55.69 53.72 1rjj s MET 62 Cb -0.29 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1rjj s MET 62 CO 0.03 -0.04 -0.23 0.99 -0.01 0.00 0.00 175.02 175.76 1rjj s THR 63 N 1.28 1.84 -0.17 2.05 2.01 0.03 -0.04 115.64 122.64 1rjj s THR 63 Ca 0.06 -1.32 0.01 0.00 0.31 0.00 0.00 61.69 60.74 1rjj s THR 63 Cb -0.14 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1rjj s THR 63 CO 0.05 0.21 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.64 1rjj s PHE 64 N -0.86 2.65 0.61 4.92 0.08 0.22 0.99 117.98 126.60 1rjj s PHE 64 Ca 0.09 -1.54 0.28 0.00 0.12 0.00 0.00 56.93 55.87 1rjj s PHE 64 Cb -0.09 -1.85 1.40 0.00 -0.57 0.00 0.00 43.02 41.91 1rjj s PHE 64 CO 0.02 -0.77 1.81 1.49 -0.10 0.00 0.00 175.22 177.68 1rjj h GLU 65 N 7.92 0.00 -1.94 0.44 4.81 -0.98 -1.58 114.58 123.24 1rjj h GLU 65 Ca -0.44 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.05 1rjj h GLU 65 Cb 1.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.43 1rjj h GLU 65 CO 0.61 0.00 0.67 1.21 -0.73 0.00 0.00 179.01 180.77 1rjj s ASN 66 N -4.81 -0.10 0.66 1.04 2.47 -1.25 -4.45 114.94 108.50 1rjj s ASN 66 Ca -0.04 -0.30 0.42 0.00 0.42 0.00 0.00 52.86 53.36 1rjj s ASN 66 Cb 0.14 0.33 2.27 0.00 -1.45 0.00 0.00 41.25 42.54 1rjj s ASN 66 CO 0.47 -0.61 2.30 0.11 -3.72 0.00 0.00 177.10 175.64 1rjj h LYS 67 N 2.00 0.00 -0.83 0.43 1.57 -1.94 -2.70 116.57 115.11 1rjj h LYS 67 Ca -0.27 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1rjj h LYS 67 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1rjj h LYS 67 CO 0.28 0.00 0.53 0.22 -0.57 0.00 0.00 179.45 179.91 1rjj h ASP 68 N 0.00 0.88 0.28 0.86 3.58 -1.94 0.02 116.42 120.09 1rjj h ASP 68 Ca 0.00 -0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1rjj h ASP 68 Cb 0.11 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1rjj h ASP 68 CO -0.00 0.60 -0.52 1.23 -2.88 0.00 0.00 179.24 177.67 1rjj h GLY 69 N 1.03 0.29 0.92 -0.78 0.00 -1.69 -2.25 103.07 100.59 1rjj h GLY 69 Ca 0.33 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1rjj h GLY 69 CO -0.11 0.29 -0.04 -1.82 0.00 0.00 0.00 176.54 174.86 1rjj h TYR 70 N 0.21 0.69 0.00 5.60 3.20 -1.31 -1.73 116.97 123.64 1rjj h TYR 70 Ca 0.01 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 1rjj h TYR 70 Cb 0.99 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1rjj h TYR 70 CO 0.02 0.77 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.44 1rjj h VAL 71 N 0.42 1.24 0.69 1.81 -1.51 -1.00 -3.10 116.25 114.80 1rjj h VAL 71 Ca 0.09 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.82 1rjj h VAL 71 Cb 0.52 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1rjj h VAL 71 CO 0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.51 1rjj h ALA 72 N 1.52 -1.00 -0.97 5.19 0.00 -1.12 0.13 119.26 123.00 1rjj h ALA 72 Ca -0.00 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 54.94 1rjj h ALA 72 Cb 0.91 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1rjj h ALA 72 CO 0.06 -0.93 0.65 0.35 0.00 0.00 0.00 179.25 179.38 1rjj h PHE 73 N -1.16 0.51 0.00 0.00 3.04 -1.35 -0.35 116.94 117.63 1rjj h PHE 73 Ca -0.10 0.02 -0.26 0.00 3.98 0.00 0.00 57.97 61.62 1rjj h PHE 73 Cb 0.71 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 1rjj h PHE 73 CO 0.02 0.09 -1.40 0.00 -2.02 0.00 0.00 178.31 175.00 1rjj h THR 74 N 0.35 1.23 0.00 4.41 1.03 -1.46 -3.31 112.91 115.16 1rjj h THR 74 Ca 0.52 -3.02 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 1rjj h THR 74 Cb 1.41 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 71.10 1rjj h THR 74 CO -0.20 0.71 0.00 -0.24 -0.01 0.00 0.00 175.52 175.78 1rjj n SER 75 N -3.19 0.23 -4.14 0.00 2.88 0.43 -4.67 113.62 105.16 1rjj n SER 75 Ca -0.10 -0.74 -0.15 0.00 -1.33 0.00 0.00 58.87 56.55 1rjj n SER 75 Cb 1.00 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 64.24 1rjj n SER 75 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1rjj s HIS 76 N -1.38 1.00 -2.00 0.66 3.76 -1.23 -5.02 115.29 111.08 1rjj s HIS 76 Ca 0.00 -0.55 0.22 0.00 -0.15 0.00 0.00 55.06 54.58 1rjj s HIS 76 Cb 0.00 -0.57 1.29 0.00 1.11 0.00 0.00 32.58 34.42 1rjj s HIS 76 CO 0.00 -0.00 1.71 -0.35 -0.85 0.00 0.00 174.74 175.25 1rjj n PRO 77 N 1.05 0.79 0.12 8.40 -0.04 -1.26 -3.70 135.00 140.37 1rjj n PRO 77 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1rjj n PRO 77 Cb 0.56 -1.43 0.30 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.00 0.19 0.04 1.53 5.85 -1.93 -3.07 115.31 117.91 1rjj h LEU 78 Ca 0.00 -0.06 -0.27 0.00 0.84 0.00 0.00 57.88 58.39 1rjj h LEU 78 Cb 0.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1rjj h LEU 78 CO 0.00 0.50 -1.41 -0.74 -0.34 0.00 0.00 178.44 176.45 1rjj h HIS 79 N 0.16 0.14 0.72 1.25 2.76 -1.80 -3.19 115.15 115.19 1rjj h HIS 79 Ca 0.02 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1rjj h HIS 79 Cb 0.65 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 29.61 1rjj h HIS 79 CO 0.01 1.12 -0.35 0.28 -1.30 0.00 0.00 177.93 177.70 1rjj h VAL 80 N 0.02 0.00 -0.82 5.26 2.07 -1.75 2.95 116.25 123.98 1rjj h VAL 80 Ca -0.18 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1rjj h VAL 80 Cb 1.93 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1rjj h VAL 80 CO 0.12 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 178.10 1rjj h GLU 81 N -1.05 0.76 -0.01 1.57 4.22 -1.72 -0.64 114.58 117.70 1rjj h GLU 81 Ca -0.10 -0.05 -0.19 0.00 0.08 0.00 0.00 59.36 59.11 1rjj h GLU 81 Cb 0.74 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1rjj h GLU 81 CO 0.16 0.50 -0.82 0.74 -2.18 0.00 0.00 179.01 177.42 1rjj h PHE 82 N 0.78 0.31 -0.57 0.92 -1.00 -1.51 -3.10 116.94 112.77 1rjj h PHE 82 Ca 0.40 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 1rjj h PHE 82 Cb 0.37 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1rjj h PHE 82 CO -0.06 0.94 0.23 1.03 -1.61 0.00 0.00 178.31 178.83 1rjj h SER 83 N 0.13 0.79 -0.66 2.17 0.87 0.67 0.18 113.55 117.69 1rjj h SER 83 Ca -0.04 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1rjj h SER 83 Cb 1.42 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 1rjj h SER 83 CO 0.13 0.74 0.33 0.00 -0.53 0.00 0.00 176.83 177.50 1rjj h ALA 84 N 1.07 0.86 -0.56 6.23 0.00 -1.19 -2.23 119.26 123.43 1rjj h ALA 84 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rjj h ALA 84 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rjj h ALA 84 CO -0.02 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.73 1rjj h ALA 85 N 1.15 0.74 -1.47 0.00 0.00 -1.40 -1.70 119.26 116.58 1rjj h ALA 85 Ca 0.23 -0.25 0.43 0.00 0.00 0.00 0.00 54.91 55.32 1rjj h ALA 85 Cb 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1rjj h ALA 85 CO -0.03 0.49 1.04 0.74 0.00 0.00 0.00 179.25 181.49 1rjj h PHE 86 N 0.82 0.11 0.00 0.00 0.04 -0.01 0.53 116.94 118.42 1rjj h PHE 86 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1rjj h PHE 86 Cb 0.42 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1rjj h PHE 86 CO 0.03 -0.02 -0.06 1.15 -0.60 0.00 0.00 178.31 178.81 1rjj h THR 87 N 0.04 0.00 -1.65 -1.55 2.02 -1.24 -2.32 112.91 108.21 1rjj h THR 87 Ca 0.73 -0.69 0.48 0.00 0.77 0.00 0.00 66.41 67.70 1rjj h THR 87 Cb 2.79 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 1rjj h THR 87 CO -0.08 0.00 1.30 0.00 0.37 0.00 0.00 175.52 177.12 1rjj h ALA 88 N -1.31 3.56 -0.42 6.16 0.00 -0.55 2.34 119.26 129.03 1rjj h ALA 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rjj h ALA 88 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rjj h ALA 88 CO 0.00 -2.15 0.00 1.33 0.00 0.00 0.00 179.25 178.43 1rjj n VAL 89 N -3.79 0.69 -4.31 0.00 0.24 0.17 -4.93 118.33 106.40 1rjj n VAL 89 Ca 0.37 -0.85 -0.17 0.00 -2.04 0.00 0.00 64.34 61.65 1rjj n VAL 89 Cb 1.80 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 34.85 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 -1.18 1.33 0.00 1.34 -1.09 0.79 -4.42 121.20 117.96 1rjj s ILE 90 Ca 0.35 -2.10 0.00 0.00 -2.23 0.00 0.00 60.65 56.67 1rjj s ILE 90 Cb 0.19 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 1rjj s ILE 90 CO 0.26 -0.56 0.00 -0.67 -1.23 0.00 0.00 174.94 172.75 1rjj n ASP 91 N -0.34 4.54 -3.96 3.58 2.03 -0.74 -4.83 116.55 116.83 1rjj n ASP 91 Ca -0.08 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.00 1rjj n ASP 91 Cb 0.62 0.45 -0.17 0.00 -0.72 0.00 0.00 41.12 41.30 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 -1.91 1.34 -0.14 -0.67 2.20 -1.22 -4.97 119.74 114.37 1rjj s LYS 92 Ca 0.00 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1rjj s LYS 92 Cb 0.00 -1.19 0.02 0.00 -1.51 0.00 0.00 37.83 35.15 1rjj s LYS 92 CO 0.00 -0.04 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.29 1rjj s ILE 93 N 0.84 1.66 -0.03 5.43 1.10 -1.26 -3.16 121.20 125.78 1rjj s ILE 93 Ca -0.12 -0.70 0.03 0.00 -0.51 0.00 0.00 60.65 59.35 1rjj s ILE 93 Cb -0.15 -1.53 0.00 0.00 0.15 0.00 0.00 42.46 40.93 1rjj s ILE 93 CO 0.01 0.47 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.53 1rjj s VAL 94 N 1.31 0.89 -0.04 4.00 1.01 -0.58 -4.98 120.40 122.01 1rjj s VAL 94 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1rjj s VAL 94 Cb -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1rjj s VAL 94 CO -0.09 0.28 0.11 -0.76 0.00 0.00 0.00 175.10 174.64 1rjj s LEU 95 N 0.27 1.59 -0.20 3.92 1.02 -1.26 0.76 118.68 124.78 1rjj s LEU 95 Ca -0.05 0.16 -0.00 0.00 0.02 0.00 0.00 54.13 54.26 1rjj s LEU 95 Cb -0.10 0.40 0.02 0.00 0.02 0.00 0.00 46.19 46.53 1rjj s LEU 95 CO 0.01 -0.08 -0.15 -0.76 0.02 0.00 0.00 176.35 175.39 1rjj s LEU 96 N -0.13 2.47 -0.03 1.79 1.02 -0.61 -4.93 118.68 118.26 1rjj s LEU 96 Ca -0.02 -0.67 0.04 0.00 0.02 0.00 0.00 54.13 53.50 1rjj s LEU 96 Cb -0.02 -1.55 -0.00 0.00 0.02 0.00 0.00 46.19 44.64 1rjj s LEU 96 CO 0.00 -0.03 -0.14 1.51 0.02 0.00 0.00 176.35 177.71 1rjj s ASP 97 N 1.32 1.81 -0.16 2.29 1.47 -1.26 -2.35 116.67 119.79 1rjj s ASP 97 Ca 0.04 -0.29 -0.32 0.00 1.18 0.00 0.00 52.55 53.16 1rjj s ASP 97 Cb -0.14 -0.43 0.14 0.00 -0.34 0.00 0.00 42.92 42.14 1rjj s ASP 97 CO -0.10 0.14 1.11 0.72 0.68 0.00 0.00 175.17 177.72 1rjj s PHE 98 N -0.00 -0.22 0.10 2.11 -0.12 -1.16 -5.05 117.98 113.63 1rjj s PHE 98 Ca -0.01 0.24 -0.31 0.00 -0.05 0.00 0.00 56.93 56.80 1rjj s PHE 98 Cb -0.09 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.70 1rjj s PHE 98 CO 0.01 -0.28 1.77 -1.25 -0.05 0.00 0.00 175.22 175.41 1rjj s PRO 99 N -2.05 4.16 -0.10 1.99 0.04 -1.26 -3.52 135.00 134.26 1rjj s PRO 99 Ca 0.06 2.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 1rjj s PRO 99 Cb -0.01 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1rjj s PRO 99 CO -0.04 -0.81 -0.05 0.08 0.04 0.00 0.00 177.00 176.22 1rjj s VAL 100 N 2.79 3.82 -0.30 -0.36 1.01 -1.17 -4.99 120.40 121.21 1rjj s VAL 100 Ca 0.78 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1rjj s VAL 100 Cb -0.43 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.42 1rjj s VAL 100 CO 0.35 0.56 -0.00 0.00 0.00 0.00 0.00 175.10 176.00 1rjj s ALA 101 N -0.36 2.59 -0.01 5.51 0.00 -1.26 -3.76 121.76 124.47 1rjj s ALA 101 Ca 0.06 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 1rjj s ALA 101 Cb -0.12 -1.77 0.10 0.00 0.00 0.00 0.00 23.12 21.33 1rjj s ALA 101 CO 0.02 -1.49 0.90 0.00 0.00 0.00 0.00 175.76 175.19 1rjj s ALA 102 N 1.07 -1.83 0.00 0.00 0.00 -1.26 -5.05 121.76 114.69 1rjj s ALA 102 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1rjj s ALA 102 Cb -0.19 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1rjj s ALA 102 CO -0.08 -0.69 0.00 1.33 0.00 0.00 0.00 175.76 176.31 1rjj n VAL 103 N -0.24 0.00 -3.73 0.00 0.24 -1.26 -4.81 118.33 108.52 1rjj n VAL 103 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1rjj n VAL 103 Cb 0.62 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 0.00 0.00 0.00 7.34 4.76 -1.26 -4.65 118.16 124.35 1rjj n LYS 104 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rjj n LYS 104 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rjj n SER 105 N -1.76 0.00 -4.69 4.39 7.64 -1.26 -4.81 113.62 113.13 1rjj n SER 105 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1rjj n SER 105 Cb 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1rjj n SER 105 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rjj s SER 106 N -0.28 6.47 -0.01 6.43 0.01 -1.26 -4.98 113.70 120.08 1rjj s SER 106 Ca 0.00 2.68 0.04 0.00 1.31 0.00 0.00 55.95 59.98 1rjj s SER 106 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1rjj s SER 106 CO 0.00 -0.98 -0.13 0.54 0.41 0.00 0.00 173.24 173.08 1rjj s VAL 107 N 2.89 1.06 0.00 3.43 0.11 -1.26 -5.05 120.40 121.58 1rjj s VAL 107 Ca 0.80 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1rjj s VAL 107 Cb -0.44 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 1rjj s VAL 107 CO 0.36 0.28 0.00 0.55 -3.33 0.00 0.00 175.10 172.95 1rjj n VAL 108 N 2.68 0.00 -2.87 2.04 3.14 -1.26 -5.12 118.33 116.94 1rjj n VAL 108 Ca -0.14 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.81 1rjj n VAL 108 Cb 0.55 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.29 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj s ALA 109 N 0.00 3.51 0.56 1.55 0.00 -1.26 -5.02 121.76 121.10 1rjj s ALA 109 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 1rjj s ALA 109 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1rjj s ALA 109 CO 0.00 -1.29 1.12 0.95 0.00 0.00 0.00 175.76 176.53 1rjj s THR 110 N 3.13 3.25 0.00 0.00 -4.23 -1.26 -5.37 115.64 111.16 1rjj s THR 110 Ca 0.35 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1rjj s THR 110 Cb -0.14 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1rjj s THR 110 CO 0.13 -0.20 0.00 -2.65 -0.54 0.00 0.00 174.62 171.36