#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 0.41 3.04 0.00 -1.26 -4.61 120.51 118.09 1rjj n ALA 2 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1rjj n ALA 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.02 0.00 0.00 5.66 -1.26 -4.97 114.28 113.73 1rjj n THR 3 Ca 0.00 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1rjj n THR 3 Cb 0.00 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 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 0.57 0.00 -3.91 1.09 7.64 -1.25 -4.90 113.62 112.86 1rjj n SER 4 Ca 0.06 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.71 1rjj n SER 4 Cb 0.26 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 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 2.50 -0.17 0.23 0.00 -1.12 -4.39 107.32 104.38 1rjj s GLY 5 Ca 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1rjj s GLY 5 CO 0.00 -1.72 -0.07 -1.36 0.00 0.00 0.00 173.10 169.95 1rjj s PHE 6 N -3.30 2.93 -0.20 1.90 0.08 0.17 -2.67 117.98 116.88 1rjj s PHE 6 Ca 0.29 -0.60 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 1rjj s PHE 6 Cb 0.03 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1rjj s PHE 6 CO 0.18 -0.25 0.23 0.21 -0.10 0.00 0.00 175.22 175.49 1rjj s LYS 7 N 0.69 4.18 -0.18 0.44 2.20 -1.18 -0.56 119.74 125.33 1rjj s LYS 7 Ca -0.04 -0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1rjj s LYS 7 Cb -0.15 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1rjj s LYS 7 CO 0.02 0.17 -0.18 -1.01 -0.36 0.00 0.00 175.35 173.99 1rjj s HIS 8 N 0.72 2.67 -0.01 4.03 3.76 0.27 -3.05 115.29 123.68 1rjj s HIS 8 Ca 0.12 -1.60 0.04 0.00 -0.15 0.00 0.00 55.06 53.47 1rjj s HIS 8 Cb -0.13 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1rjj s HIS 8 CO 0.03 -0.78 -0.15 -1.17 -0.85 0.00 0.00 174.74 171.82 1rjj s LEU 9 N 1.32 2.01 -0.02 0.89 0.20 -1.07 -0.95 118.68 121.06 1rjj s LEU 9 Ca 0.04 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1rjj s LEU 9 Cb -0.13 -0.76 -0.00 0.00 -0.43 0.00 0.00 46.19 44.86 1rjj s LEU 9 CO -0.12 0.17 -0.13 0.54 -0.29 0.00 0.00 176.35 176.53 1rjj s VAL 10 N -0.29 1.03 -0.06 1.68 0.11 -1.15 -1.67 120.40 120.06 1rjj s VAL 10 Ca 0.05 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1rjj s VAL 10 Cb -0.06 -0.88 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1rjj s VAL 10 CO -0.00 0.30 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.19 1rjj s VAL 11 N -0.05 1.59 0.09 2.04 1.01 0.22 -2.13 120.40 123.16 1rjj s VAL 11 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1rjj s VAL 11 Cb -0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1rjj s VAL 11 CO 0.00 0.45 0.05 0.68 0.00 0.00 0.00 175.10 176.28 1rjj s VAL 12 N 0.13 0.16 0.12 2.92 -7.23 -0.93 -1.23 120.40 114.35 1rjj s VAL 12 Ca -0.07 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1rjj s VAL 12 Cb -0.13 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1rjj s VAL 12 CO 0.04 -0.74 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.17 1rjj s LYS 13 N -3.96 1.06 0.12 4.82 2.20 -1.24 -3.06 119.74 119.69 1rjj s LYS 13 Ca 0.13 -1.20 0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1rjj s LYS 13 Cb 0.07 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.25 1rjj s LYS 13 CO -0.06 0.23 -0.01 -0.59 -0.36 0.00 0.00 175.35 174.57 1rjj s PHE 14 N -1.70 2.92 0.00 4.03 -0.12 -1.26 -0.80 117.98 121.05 1rjj s PHE 14 Ca 0.08 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1rjj s PHE 14 Cb -0.07 -1.47 0.00 0.00 -0.63 0.00 0.00 43.02 40.85 1rjj s PHE 14 CO 0.04 0.49 0.00 0.36 -0.05 0.00 0.00 175.22 176.06 1rjj n LYS 15 N 0.30 2.76 -0.10 1.99 -0.00 -1.26 -4.82 118.16 117.04 1rjj n LYS 15 Ca -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.05 1rjj n LYS 15 Cb 0.53 -0.77 -0.07 0.00 -0.00 0.00 0.00 35.03 34.73 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 -0.82 0.52 0.00 -1.58 4.07 -1.26 -5.00 120.64 116.57 1rjj n GLU 16 Ca 0.00 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1rjj n GLU 16 Cb 0.01 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 1rjj n GLU 16 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1rjj n ASP 17 N -4.48 0.00 -4.45 4.31 2.03 -1.26 -5.09 116.55 107.61 1rjj n ASP 17 Ca -0.24 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.59 1rjj n ASP 17 Cb 0.54 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.12 -2.15 5.18 -1.04 -1.26 -4.80 114.28 110.33 1rjj n THR 18 Ca 0.00 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 1rjj n THR 18 Cb 0.00 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 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 6.85 2.76 0.19 -2.82 3.01 -1.26 -4.72 119.74 123.73 1rjj s LYS 19 Ca 1.12 -1.04 -0.11 0.00 -1.01 0.00 0.00 55.97 54.94 1rjj s LYS 19 Cb -0.85 -5.24 0.11 0.00 -1.01 0.00 0.00 37.83 30.84 1rjj s LYS 19 CO 0.47 -3.51 1.76 -0.39 0.51 0.00 0.00 175.35 174.18 1rjj h VAL 20 N 6.42 1.23 -0.37 3.17 -1.51 -1.97 0.16 116.25 123.38 1rjj h VAL 20 Ca 0.21 -0.70 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1rjj h VAL 20 Cb 0.95 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 1rjj h VAL 20 CO 1.26 0.28 0.07 0.44 -1.23 0.00 0.00 177.57 178.40 1rjj h ASP 21 N 0.94 0.58 0.12 4.19 3.32 -1.98 1.88 116.42 125.48 1rjj h ASP 21 Ca 0.23 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1rjj h ASP 21 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1rjj h ASP 21 CO -0.02 0.68 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.87 1rjj h GLU 22 N 0.46 0.20 -0.21 3.56 4.81 -1.92 0.20 114.58 121.68 1rjj h GLU 22 Ca 0.11 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1rjj h GLU 22 Cb 0.34 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1rjj h GLU 22 CO 0.00 0.42 -0.32 0.82 -0.73 0.00 0.00 179.01 179.20 1rjj h ILE 23 N 0.18 1.33 -1.00 2.32 2.04 -0.23 -2.75 117.51 119.39 1rjj h ILE 23 Ca 0.03 -1.53 0.13 0.00 1.00 0.00 0.00 64.86 64.49 1rjj h ILE 23 Cb 0.50 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 1rjj h ILE 23 CO 0.03 0.47 0.63 0.25 0.00 0.00 0.00 178.15 179.54 1rjj h LEU 24 N 0.26 0.90 -1.20 1.44 5.85 0.40 0.58 115.31 123.54 1rjj h LEU 24 Ca 0.02 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1rjj h LEU 24 Cb 0.90 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1rjj h LEU 24 CO 0.07 0.45 0.54 0.50 -0.34 0.00 0.00 178.44 179.67 1rjj h LYS 25 N 0.96 1.07 0.11 1.25 3.64 -0.73 -1.48 116.57 121.39 1rjj h LYS 25 Ca 0.51 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1rjj h LYS 25 Cb 0.56 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1rjj h LYS 25 CO -0.29 0.70 -0.05 0.78 -2.27 0.00 0.00 179.45 178.32 1rjj h GLY 26 N 1.10 -0.16 -0.48 5.01 0.00 0.31 -2.26 103.07 106.59 1rjj h GLY 26 Ca 0.30 0.06 0.25 0.00 0.00 0.00 0.00 47.33 47.94 1rjj h GLY 26 CO -0.07 -0.06 0.27 -2.00 0.00 0.00 0.00 176.54 174.68 1rjj h LEU 27 N -0.28 0.05 -1.50 3.11 6.46 0.03 2.62 115.31 125.79 1rjj h LEU 27 Ca -0.02 0.20 0.26 0.00 -0.12 0.00 0.00 57.88 58.20 1rjj h LEU 27 Cb 0.23 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 1rjj h LEU 27 CO 0.03 -0.16 0.67 -0.33 -0.62 0.00 0.00 178.44 178.02 1rjj h GLU 28 N 0.21 0.33 -0.38 1.25 5.08 -0.72 1.08 114.58 121.43 1rjj h GLU 28 Ca 0.58 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.87 1rjj h GLU 28 Cb 1.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1rjj h GLU 28 CO -0.66 0.22 0.05 -0.91 -1.00 0.00 0.00 179.01 176.71 1rjj h ASN 29 N 0.34 0.61 -0.55 1.42 2.35 0.46 -2.75 115.58 117.46 1rjj h ASN 29 Ca 0.55 -0.27 0.11 0.00 -0.55 0.00 0.00 56.30 56.14 1rjj h ASN 29 Cb 1.50 -0.16 -0.11 0.00 0.05 0.00 0.00 38.32 39.60 1rjj h ASN 29 CO -0.22 0.73 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.04 1rjj h LEU 30 N 0.47 -0.63 -1.43 1.61 -0.00 0.17 0.79 115.31 116.30 1rjj h LEU 30 Ca 0.11 0.18 0.32 0.00 -0.00 0.00 0.00 57.88 58.49 1rjj h LEU 30 Cb 0.38 0.38 -0.10 0.00 -0.00 0.00 0.00 40.66 41.33 1rjj h LEU 30 CO 0.01 -0.21 0.74 0.58 -0.00 0.00 0.00 178.44 179.55 1rjj h VAL 31 N -0.04 0.40 -0.72 1.22 2.07 -1.05 0.41 116.25 118.54 1rjj h VAL 31 Ca 0.26 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.83 1rjj h VAL 31 Cb 0.44 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 1rjj h VAL 31 CO -0.59 0.05 -0.20 -1.28 0.02 0.00 0.00 177.57 175.57 1rjj h SER 32 N 0.27 -0.75 0.42 0.57 0.87 0.65 1.82 113.55 117.41 1rjj h SER 32 Ca 0.66 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 61.44 1rjj h SER 32 Cb 1.88 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 64.31 1rjj h SER 32 CO -0.31 -0.25 0.00 0.00 -0.53 0.00 0.00 176.83 175.75 1rjj n GLN 33 N -5.48 0.04 -1.16 2.24 1.13 0.14 -3.04 117.38 111.26 1rjj n GLN 33 Ca 0.09 0.25 -0.19 0.00 -1.94 0.00 0.00 57.00 55.21 1rjj n GLN 33 Cb 0.37 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.46 3.10 0.31 5.09 2.08 0.62 -4.31 119.36 124.80 1rjj n ILE 34 Ca 0.04 -1.96 0.20 0.00 0.56 0.00 0.00 62.75 61.59 1rjj n ILE 34 Cb 0.15 -0.44 1.06 0.00 -0.75 0.00 0.00 39.64 39.66 1rjj n ILE 34 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1rjj h ASP 35 N 1.26 0.00 0.34 4.38 3.32 -1.51 0.76 116.42 124.96 1rjj h ASP 35 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1rjj h ASP 35 Cb 2.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.23 1rjj h ASP 35 CO 0.98 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.85 1rjj n THR 36 N -2.94 0.70 -3.14 0.35 -2.24 -1.26 -4.81 114.28 100.94 1rjj n THR 36 Ca -0.02 0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 1rjj n THR 36 Cb 0.09 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 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 -1.34 0.00 -2.02 2.28 0.24 0.26 -4.67 118.33 113.07 1rjj n VAL 37 Ca 0.06 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.10 1rjj n VAL 37 Cb 0.13 -0.24 0.02 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.71 3.50 -3.91 7.34 2.85 -1.26 -5.02 118.16 118.95 1rjj n LYS 38 Ca 0.06 -4.13 0.01 0.00 -1.05 0.00 0.00 58.31 53.19 1rjj n LYS 38 Cb 0.35 -2.28 0.01 0.00 -0.65 0.00 0.00 35.03 32.47 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1rjj s SER 39 N -3.40 -0.01 0.03 -5.58 1.04 -1.26 -0.84 113.70 103.69 1rjj s SER 39 Ca 0.52 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 1rjj s SER 39 Cb 0.42 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 1rjj s SER 39 CO -0.00 -0.50 0.16 -0.36 0.98 0.00 0.00 173.24 173.51 1rjj s PHE 40 N -2.13 0.09 -0.25 5.02 0.08 0.20 -4.90 117.98 116.09 1rjj s PHE 40 Ca 0.25 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1rjj s PHE 40 Cb -0.00 -0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.47 1rjj s PHE 40 CO 0.01 -0.38 0.58 -1.21 -0.10 0.00 0.00 175.22 174.11 1rjj s GLU 41 N -2.33 0.54 0.34 0.44 8.01 -1.25 -0.57 118.70 123.88 1rjj s GLU 41 Ca -0.07 1.18 0.04 0.00 0.01 0.00 0.00 54.97 56.13 1rjj s GLU 41 Cb -0.02 0.35 -0.03 0.00 -4.31 0.00 0.00 34.13 30.11 1rjj s GLU 41 CO -0.03 -0.18 0.17 -1.58 0.01 0.00 0.00 175.26 173.64 1rjj s TRP 42 N 2.12 1.69 0.12 1.61 0.51 -1.00 -4.97 118.94 119.01 1rjj s TRP 42 Ca -0.07 -1.38 0.03 0.00 -2.12 0.00 0.00 56.10 52.56 1rjj s TRP 42 Cb -0.09 -0.93 -0.04 0.00 -0.81 0.00 0.00 33.47 31.60 1rjj s TRP 42 CO -0.17 -0.50 -0.09 0.20 -0.51 0.00 0.00 176.95 175.88 1rjj s GLY 43 N -3.44 0.90 -0.11 0.98 0.00 -1.26 -2.63 107.32 101.75 1rjj s GLY 43 Ca 0.33 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 1rjj s GLY 43 CO 0.18 -1.46 0.32 -0.54 0.00 0.00 0.00 173.10 171.61 1rjj s GLU 44 N -3.54 0.40 0.06 2.90 2.02 -0.39 -4.98 118.70 115.17 1rjj s GLU 44 Ca 0.12 0.40 0.09 0.00 0.02 0.00 0.00 54.97 55.60 1rjj s GLU 44 Cb 0.02 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 1rjj s GLU 44 CO -0.02 -0.06 -0.26 0.16 0.02 0.00 0.00 175.26 175.11 1rjj s ASP 45 N 0.05 3.10 -0.13 -0.19 1.47 -1.26 -0.54 116.67 119.16 1rjj s ASP 45 Ca -0.01 -0.61 -0.07 0.00 1.18 0.00 0.00 52.55 53.04 1rjj s ASP 45 Cb -0.03 -0.27 0.05 0.00 -0.34 0.00 0.00 42.92 42.34 1rjj s ASP 45 CO 0.01 0.23 0.31 -1.59 0.68 0.00 0.00 175.17 174.81 1rjj s LYS 46 N -1.37 0.27 -0.40 2.11 0.00 -0.36 -4.92 119.74 115.08 1rjj s LYS 46 Ca 0.12 0.66 0.08 0.00 0.00 0.00 0.00 55.97 56.83 1rjj s LYS 46 Cb -0.10 -0.06 0.35 0.00 0.00 0.00 0.00 37.83 38.02 1rjj s LYS 46 CO 0.03 -0.17 1.30 -0.85 0.00 0.00 0.00 175.35 175.66 1rjj n GLU 47 N 4.38 1.06 0.00 1.78 0.28 -1.26 -4.00 120.64 122.88 1rjj n GLU 47 Ca -0.23 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.07 1rjj n GLU 47 Cb 0.53 -0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1rjj n SER 48 N -0.47 0.00 -4.88 -1.84 2.88 -1.26 -5.01 113.62 103.04 1rjj n SER 48 Ca -0.05 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.15 1rjj n SER 48 Cb 0.81 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.22 1rjj n SER 48 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1rjj s HIS 49 N 0.48 3.52 0.27 0.66 3.76 -1.26 -4.81 115.29 117.91 1rjj s HIS 49 Ca 0.00 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 1rjj s HIS 49 Cb 0.00 -1.84 0.61 0.00 1.11 0.00 0.00 32.58 32.46 1rjj s HIS 49 CO 0.00 0.65 1.73 -0.44 -0.85 0.00 0.00 174.74 175.83 1rjj h ASP 50 N 4.12 0.39 0.45 1.40 3.32 -1.95 2.28 116.42 126.42 1rjj h ASP 50 Ca -0.50 0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.51 1rjj h ASP 50 Cb 1.20 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1rjj h ASP 50 CO 0.66 0.10 -0.71 -0.03 -1.72 0.00 0.00 179.24 177.53 1rjj h MET 51 N 0.49 0.22 0.00 3.56 4.05 -1.95 -2.65 114.93 118.65 1rjj h MET 51 Ca 0.50 -0.18 -0.17 0.00 -0.28 0.00 0.00 59.70 59.56 1rjj h MET 51 Cb 0.83 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.65 1rjj h MET 51 CO -0.45 0.84 -1.00 -0.07 0.23 0.00 0.00 176.91 176.46 1rjj h LEU 52 N 0.15 0.00 0.00 3.39 3.38 -1.35 -3.34 115.31 117.53 1rjj h LEU 52 Ca -0.02 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1rjj h LEU 52 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1rjj h LEU 52 CO 0.11 1.32 0.00 -2.11 0.09 0.00 0.00 178.44 177.84 1rjj n ARG 53 N -4.48 0.55 -0.20 1.13 1.85 0.75 -4.77 116.66 111.48 1rjj n ARG 53 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 1rjj n ARG 53 Cb 0.59 -1.23 0.00 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 -0.73 -0.65 0.00 2.89 1.13 -1.00 -1.95 117.38 117.07 1rjj n GLN 54 Ca 0.06 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1rjj n GLN 54 Cb 0.03 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 27.92 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 0.16 2.28 0.00 1.08 0.00 -1.24 -4.99 105.19 102.48 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 -0.82 -5.03 117.46 114.23 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 0.25 1.01 0.00 0.00 176.76 178.02 1rjj n THR 57 N 0.00 0.00 -3.59 4.37 -2.24 -1.17 -4.86 114.28 106.79 1rjj n THR 57 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1rjj n THR 57 Cb 0.00 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1rjj n THR 57 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1rjj s HIS 58 N -1.19 -0.16 0.23 4.78 -3.43 -1.20 -1.22 115.29 113.09 1rjj s HIS 58 Ca 0.00 0.14 -0.04 0.00 -0.80 0.00 0.00 55.06 54.36 1rjj s HIS 58 Cb 0.00 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 1rjj s HIS 58 CO 0.00 -0.23 0.25 0.00 -2.00 0.00 0.00 174.74 172.77 1rjj s ALA 59 N -2.18 0.79 -0.03 -1.38 0.00 0.30 -2.18 121.76 117.08 1rjj s ALA 59 Ca 0.08 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1rjj s ALA 59 Cb -0.01 1.29 0.02 0.00 0.00 0.00 0.00 23.12 24.42 1rjj s ALA 59 CO -0.05 -0.68 -0.04 -0.06 0.00 0.00 0.00 175.76 174.93 1rjj s PHE 60 N -4.03 0.64 -0.50 0.00 0.08 -0.91 -1.27 117.98 112.00 1rjj s PHE 60 Ca 0.34 -0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.10 1rjj s PHE 60 Cb 0.04 -0.56 0.11 0.00 -0.57 0.00 0.00 43.02 42.03 1rjj s PHE 60 CO 0.12 -0.14 0.42 0.45 -0.10 0.00 0.00 175.22 175.97 1rjj s SER 61 N 0.72 6.05 -0.20 1.36 0.15 -1.08 -2.94 113.70 117.77 1rjj s SER 61 Ca -0.09 -1.63 -0.05 0.00 0.70 0.00 0.00 55.95 54.87 1rjj s SER 61 Cb -0.12 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1rjj s SER 61 CO -0.00 -0.74 0.01 -0.04 1.20 0.00 0.00 173.24 173.67 1rjj s MET 62 N 1.56 3.65 0.08 5.44 -1.94 -0.12 -2.39 119.30 125.58 1rjj s MET 62 Ca 0.04 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.57 1rjj s MET 62 Cb -0.27 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.45 1rjj s MET 62 CO 0.04 0.03 -0.17 0.99 -0.01 0.00 0.00 175.02 175.90 1rjj s THR 63 N 0.95 1.35 -0.05 2.05 2.01 0.27 0.96 115.64 123.17 1rjj s THR 63 Ca 0.02 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 60.68 1rjj s THR 63 Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1rjj s THR 63 CO 0.02 -0.13 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.35 1rjj s PHE 64 N -1.17 1.27 0.47 4.92 0.40 0.28 0.61 117.98 124.76 1rjj s PHE 64 Ca 0.02 -0.42 0.23 0.00 -0.60 0.00 0.00 56.93 56.16 1rjj s PHE 64 Cb -0.10 -0.93 1.25 0.00 0.51 0.00 0.00 43.02 43.75 1rjj s PHE 64 CO 0.03 -0.21 1.90 0.93 0.70 0.00 0.00 175.22 178.56 1rjj h GLU 65 N 6.80 0.21 -3.27 0.44 4.39 -1.27 0.47 114.58 122.36 1rjj h GLU 65 Ca -0.33 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 1rjj h GLU 65 Cb 1.18 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.66 1rjj h GLU 65 CO 0.48 0.14 0.02 -0.80 -1.16 0.00 0.00 179.01 177.68 1rjj s ASN 66 N -5.78 -0.33 0.53 1.42 0.02 -1.26 -3.85 114.94 105.69 1rjj s ASN 66 Ca -0.07 -0.24 0.32 0.00 -1.02 0.00 0.00 52.86 51.84 1rjj s ASN 66 Cb 0.22 0.52 1.72 0.00 0.02 0.00 0.00 41.25 43.72 1rjj s ASN 66 CO 0.77 -0.91 1.95 0.07 0.02 0.00 0.00 177.10 179.01 1rjj h LYS 67 N 2.25 0.00 -1.00 -0.60 2.10 -1.95 -2.65 116.57 114.72 1rjj h LYS 67 Ca -0.33 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.37 1rjj h LYS 67 Cb 1.27 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.54 1rjj h LYS 67 CO 0.43 0.00 0.65 -0.44 -2.00 0.00 0.00 179.45 178.09 1rjj h ASP 68 N 0.00 1.06 0.16 7.07 3.32 -1.95 -0.44 116.42 125.63 1rjj h ASP 68 Ca 0.00 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1rjj h ASP 68 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1rjj h ASP 68 CO 0.00 0.70 -0.42 1.23 -1.72 0.00 0.00 179.24 179.03 1rjj h GLY 69 N 1.21 0.37 0.90 2.75 0.00 -1.80 -1.96 103.07 104.54 1rjj h GLY 69 Ca 0.41 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1rjj h GLY 69 CO -0.15 0.32 -0.06 -1.82 0.00 0.00 0.00 176.54 174.84 1rjj h TYR 70 N 0.28 0.66 0.00 5.60 3.20 -1.26 -1.70 116.97 123.74 1rjj h TYR 70 Ca 0.02 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1rjj h TYR 70 Cb 0.86 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1rjj h TYR 70 CO 0.02 0.76 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.43 1rjj h VAL 71 N 0.37 1.23 0.70 1.81 -1.51 -1.13 -3.20 116.25 114.51 1rjj h VAL 71 Ca 0.08 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.81 1rjj h VAL 71 Cb 0.53 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1rjj h VAL 71 CO 0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.50 1rjj h ALA 72 N 1.52 -1.00 -1.25 5.19 0.00 -1.08 -1.58 119.26 121.06 1rjj h ALA 72 Ca -0.00 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.07 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 0.84 0.35 0.00 0.00 0.00 179.25 179.57 1rjj h PHE 73 N -1.17 0.40 0.00 0.00 3.57 -1.35 0.61 116.94 119.01 1rjj h PHE 73 Ca -0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 1rjj h PHE 73 Cb 0.72 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1rjj h PHE 73 CO 0.01 -0.05 -0.78 1.79 -2.23 0.00 0.00 178.31 177.06 1rjj h THR 74 N 0.16 0.70 0.00 4.41 1.35 -1.52 -3.30 112.91 114.71 1rjj h THR 74 Ca 0.69 -2.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 1rjj h THR 74 Cb 2.25 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 70.92 1rjj h THR 74 CO -0.24 0.40 -0.22 0.28 -0.25 0.00 0.00 175.52 175.48 1rjj h SER 75 N 0.00 0.00 -3.76 5.36 0.02 0.13 -3.44 113.55 111.86 1rjj h SER 75 Ca -0.05 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.41 1rjj h SER 75 Cb 1.42 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.97 1rjj h SER 75 CO 0.06 0.22 0.16 -1.00 -1.14 0.00 0.00 176.83 175.13 1rjj s HIS 76 N -4.03 3.50 -2.00 3.45 4.02 -1.13 -4.94 115.29 114.16 1rjj s HIS 76 Ca -0.02 1.05 0.09 0.00 1.02 0.00 0.00 55.06 57.21 1rjj s HIS 76 Cb 0.13 -2.46 0.54 0.00 -1.02 0.00 0.00 32.58 29.76 1rjj s HIS 76 CO 0.64 -0.20 0.97 -0.35 1.02 0.00 0.00 174.74 176.83 1rjj n PRO 77 N -1.59 0.46 0.08 8.40 -0.04 -1.26 -3.15 135.00 137.91 1rjj n PRO 77 Ca 0.03 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1rjj n PRO 77 Cb 0.54 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.10 0.10 1.53 5.85 -1.91 -3.17 115.31 117.80 1rjj h LEU 78 Ca 0.00 -0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.38 1rjj h LEU 78 Cb 0.00 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.02 1rjj h LEU 78 CO 0.00 0.97 -1.04 -0.74 -0.34 0.00 0.00 178.44 177.29 1rjj h HIS 79 N 0.03 0.87 0.72 1.25 2.76 -1.70 -2.93 115.15 116.14 1rjj h HIS 79 Ca -0.03 -0.54 -0.04 0.00 -2.20 0.00 0.00 60.37 57.57 1rjj h HIS 79 Cb 1.62 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 30.52 1rjj h HIS 79 CO 0.01 1.39 -0.35 -0.24 -1.30 0.00 0.00 177.93 177.44 1rjj h VAL 80 N 0.10 0.21 -0.98 5.26 3.04 -1.76 0.16 116.25 122.28 1rjj h VAL 80 Ca -0.16 -0.16 0.19 0.00 -1.01 0.00 0.00 66.70 65.56 1rjj h VAL 80 Cb 1.75 0.25 -0.09 0.00 -2.01 0.00 0.00 31.29 31.18 1rjj h VAL 80 CO 0.20 0.01 0.61 -0.08 -1.01 0.00 0.00 177.57 177.31 1rjj h GLU 81 N -1.10 0.68 -0.08 4.17 4.81 -1.69 0.30 114.58 121.68 1rjj h GLU 81 Ca -0.10 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1rjj h GLU 81 Cb 0.77 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1rjj h GLU 81 CO 0.16 0.45 -0.47 0.35 -0.73 0.00 0.00 179.01 178.77 1rjj h PHE 82 N 0.70 0.23 -0.48 0.92 3.57 -1.28 -3.13 116.94 117.47 1rjj h PHE 82 Ca 0.54 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1rjj h PHE 82 Cb 0.93 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1rjj h PHE 82 CO -0.00 0.63 0.30 1.03 -2.23 0.00 0.00 178.31 178.04 1rjj h SER 83 N 0.16 0.57 -0.96 0.41 0.87 0.26 1.17 113.55 116.03 1rjj h SER 83 Ca 0.01 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1rjj h SER 83 Cb 0.90 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 1rjj h SER 83 CO 0.07 0.44 0.64 0.00 -0.53 0.00 0.00 176.83 177.44 1rjj h ALA 84 N 1.15 1.32 0.05 6.23 0.00 -1.43 -2.64 119.26 123.95 1rjj h ALA 84 Ca 0.17 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1rjj h ALA 84 Cb -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 17.79 17.38 1rjj h ALA 84 CO -0.04 0.63 -0.64 0.00 0.00 0.00 0.00 179.25 179.21 1rjj h ALA 85 N 1.40 0.00 -1.08 0.00 0.00 -1.39 -2.47 119.26 115.73 1rjj h ALA 85 Ca 0.35 -0.61 0.42 0.00 0.00 0.00 0.00 54.91 55.08 1rjj h ALA 85 Cb -0.15 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 1rjj h ALA 85 CO -0.08 0.33 0.63 0.34 0.00 0.00 0.00 179.25 180.47 1rjj n PHE 86 N -4.21 0.99 -0.05 0.00 7.35 0.40 0.50 117.46 122.44 1rjj n PHE 86 Ca -0.12 1.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.57 1rjj n PHE 86 Cb 0.71 -1.41 -0.00 0.00 0.35 0.00 0.00 39.48 39.13 1rjj n PHE 86 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1rjj h THR 87 N 0.00 0.00 0.00 -2.13 2.02 -1.50 -1.66 112.91 109.64 1rjj h THR 87 Ca 0.83 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1rjj h THR 87 Cb 2.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1rjj h THR 87 CO -0.65 0.00 0.49 0.00 0.37 0.00 0.00 175.52 175.73 1rjj n ALA 88 N -2.82 0.27 0.04 6.16 0.00 0.40 0.15 120.51 124.71 1rjj n ALA 88 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rjj n ALA 88 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.64 0.00 -4.42 0.00 0.24 0.18 -4.98 118.33 107.70 1rjj n VAL 89 Ca -0.00 -0.49 -0.25 0.00 -2.04 0.00 0.00 64.34 61.55 1rjj n VAL 89 Cb 0.50 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.36 2.32 -0.16 1.34 1.09 0.39 -4.24 121.20 121.57 1rjj s ILE 90 Ca 0.01 -2.13 0.12 0.00 -1.10 0.00 0.00 60.65 57.55 1rjj s ILE 90 Cb 0.01 -2.14 -0.19 0.00 -1.06 0.00 0.00 42.46 39.08 1rjj s ILE 90 CO 0.02 -0.22 0.02 -0.67 -0.10 0.00 0.00 174.94 173.98 1rjj n ASP 91 N 0.02 1.30 -3.75 3.58 2.03 0.01 -4.81 116.55 114.93 1rjj n ASP 91 Ca -0.10 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.06 1rjj n ASP 91 Cb 0.57 0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 41.59 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 -2.39 0.70 -0.10 -0.67 -2.85 -1.22 -4.99 119.74 108.22 1rjj s LYS 92 Ca -0.11 -0.22 0.01 0.00 -1.00 0.00 0.00 55.97 54.66 1rjj s LYS 92 Cb 0.05 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1rjj s LYS 92 CO 0.62 -0.20 -0.12 -1.50 0.10 0.00 0.00 175.35 174.25 1rjj s ILE 93 N -1.48 1.28 -0.10 3.79 1.10 -1.26 -3.68 121.20 120.85 1rjj s ILE 93 Ca -0.12 -0.51 0.03 0.00 -0.51 0.00 0.00 60.65 59.54 1rjj s ILE 93 Cb -0.04 -1.19 0.01 0.00 0.15 0.00 0.00 42.46 41.38 1rjj s ILE 93 CO 0.04 0.40 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.39 1rjj s VAL 94 N 1.09 1.69 -0.02 4.00 1.01 -0.36 -4.98 120.40 122.83 1rjj s VAL 94 Ca -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1rjj s VAL 94 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1rjj s VAL 94 CO -0.02 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.85 1rjj s LEU 95 N 0.61 1.69 -0.14 3.92 1.02 -1.26 0.71 118.68 125.23 1rjj s LEU 95 Ca -0.14 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1rjj s LEU 95 Cb -0.17 0.14 0.01 0.00 0.02 0.00 0.00 46.19 46.20 1rjj s LEU 95 CO 0.04 -0.03 -0.19 -0.76 0.02 0.00 0.00 176.35 175.43 1rjj s LEU 96 N 0.19 1.93 -0.04 1.79 1.02 -0.67 -4.97 118.68 117.93 1rjj s LEU 96 Ca -0.01 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.64 1rjj s LEU 96 Cb -0.02 -1.30 -0.00 0.00 0.02 0.00 0.00 46.19 44.88 1rjj s LEU 96 CO -0.01 0.03 -0.17 -1.81 0.02 0.00 0.00 176.35 174.41 1rjj s ASP 97 N 1.01 2.18 0.01 2.29 1.01 -1.26 -2.61 116.67 119.29 1rjj s ASP 97 Ca -0.04 -0.36 -0.28 0.00 0.71 0.00 0.00 52.55 52.58 1rjj s ASP 97 Cb -0.15 -0.58 0.10 0.00 1.01 0.00 0.00 42.92 43.30 1rjj s ASP 97 CO -0.04 0.16 0.84 0.72 0.21 0.00 0.00 175.17 177.05 1rjj s PHE 98 N 0.00 -0.40 -0.12 4.23 -0.71 -1.17 -5.03 117.98 114.78 1rjj s PHE 98 Ca -0.03 0.32 -0.30 0.00 -1.04 0.00 0.00 56.93 55.88 1rjj s PHE 98 Cb -0.11 0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 42.15 1rjj s PHE 98 CO 0.02 -0.58 2.09 -2.30 -1.34 0.00 0.00 175.22 173.11 1rjj n PRO 99 N -0.12 2.26 -4.05 1.99 -0.02 -1.26 -3.09 135.00 130.71 1rjj n PRO 99 Ca -0.11 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 1rjj n PRO 99 Cb 0.62 -3.04 -0.09 0.00 -0.02 0.00 0.00 33.50 30.97 1rjj n PRO 99 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rjj s VAL 100 N 6.38 4.80 -0.91 -1.45 0.11 -1.09 -4.96 120.40 123.28 1rjj s VAL 100 Ca 0.96 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.95 1rjj s VAL 100 Cb -0.45 -3.13 0.23 0.00 -1.53 0.00 0.00 36.38 31.51 1rjj s VAL 100 CO 0.41 0.51 0.85 0.00 -3.33 0.00 0.00 175.10 173.53 1rjj n ALA 101 N 3.09 3.92 -2.25 1.54 0.00 -1.26 -2.78 120.51 122.77 1rjj n ALA 101 Ca -0.17 -4.62 -0.35 0.00 0.00 0.00 0.00 53.44 48.29 1rjj n ALA 101 Cb 0.53 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1rjj n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj s ALA 102 N -1.52 2.20 0.00 0.00 0.00 -1.26 -4.18 121.76 117.00 1rjj s ALA 102 Ca 0.29 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1rjj s ALA 102 Cb -0.05 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1rjj s ALA 102 CO -0.11 -4.07 0.00 1.33 0.00 0.00 0.00 175.76 172.91 1rjj n VAL 103 N 7.25 0.00 0.00 0.00 0.24 -1.26 -5.02 118.33 119.54 1rjj n VAL 103 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 1rjj n VAL 103 Cb 0.49 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.27 7.34 4.76 -1.26 -4.42 118.16 124.32 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 0.00 0.00 -4.77 4.39 7.64 -1.26 -4.90 113.62 114.72 1rjj n SER 105 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1rjj n SER 105 Cb 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 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 0.00 3.69 -2.74 6.43 2.88 -1.26 -4.91 113.62 117.70 1rjj n SER 106 Ca 0.00 1.21 -0.03 0.00 -1.33 0.00 0.00 58.87 58.72 1rjj n SER 106 Cb 0.00 -1.62 0.08 0.00 -0.75 0.00 0.00 64.21 61.92 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 0.29 0.67 -3.70 2.46 3.14 -1.26 -5.10 118.33 114.82 1rjj n VAL 107 Ca 0.02 -2.17 -0.14 0.00 -2.96 0.00 0.00 64.34 59.09 1rjj n VAL 107 Cb 0.39 1.07 -0.08 0.00 -1.06 0.00 0.00 33.84 34.17 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 -1.97 0.05 0.72 1.55 0.11 -1.26 -5.16 120.40 114.44 1rjj s VAL 108 Ca 0.21 -0.41 -0.11 0.00 -2.93 0.00 0.00 61.98 58.74 1rjj s VAL 108 Cb 0.39 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1rjj s VAL 108 CO -0.06 -0.22 1.08 0.00 -3.33 0.00 0.00 175.10 172.57 1rjj s ALA 109 N -1.56 2.67 -0.40 1.54 0.00 -1.26 -5.03 121.76 117.72 1rjj s ALA 109 Ca -0.11 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1rjj s ALA 109 Cb -0.03 -3.09 0.26 0.00 0.00 0.00 0.00 23.12 20.26 1rjj s ALA 109 CO 0.04 -1.28 0.60 0.25 0.00 0.00 0.00 175.76 175.36 1rjj n THR 110 N -3.14 -0.55 0.00 0.00 -2.24 -1.26 -5.28 114.28 101.82 1rjj n THR 110 Ca 0.07 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.11 1rjj n THR 110 Cb 0.56 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1rjj n THR 110 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85