#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 -0.63 3.17 0.00 -1.26 -4.40 120.51 117.39 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 -4.70 114.28 113.98 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 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 0.00 0.00 -4.98 1.09 7.64 -1.26 -4.97 113.62 111.14 1rjj n SER 4 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1rjj n SER 4 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.80 -0.09 0.23 0.00 -0.45 -4.65 107.32 104.15 1rjj s GLY 5 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.35 1rjj s GLY 5 CO 0.00 -1.18 -0.15 -0.12 0.00 0.00 0.00 173.10 171.64 1rjj s PHE 6 N -2.55 1.84 -0.13 1.90 2.19 -0.89 -0.71 117.98 119.64 1rjj s PHE 6 Ca 0.54 -0.77 -0.04 0.00 0.33 0.00 0.00 56.93 56.99 1rjj s PHE 6 Cb -0.10 -1.32 -0.03 0.00 -1.31 0.00 0.00 43.02 40.26 1rjj s PHE 6 CO 0.36 -0.38 0.01 0.21 1.83 0.00 0.00 175.22 177.25 1rjj s LYS 7 N 0.74 3.44 -0.11 10.12 2.20 -1.22 -0.95 119.74 133.97 1rjj s LYS 7 Ca -0.12 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1rjj s LYS 7 Cb -0.16 -2.94 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1rjj s LYS 7 CO 0.03 0.47 -0.14 -1.58 -0.36 0.00 0.00 175.35 173.77 1rjj s HIS 8 N -0.23 1.87 0.01 4.03 5.65 0.16 -2.27 115.29 124.51 1rjj s HIS 8 Ca 0.06 -0.89 0.04 0.00 0.25 0.00 0.00 55.06 54.51 1rjj s HIS 8 Cb -0.12 -1.38 -0.01 0.00 -1.18 0.00 0.00 32.58 29.89 1rjj s HIS 8 CO 0.02 -0.48 -0.11 -1.17 -0.65 0.00 0.00 174.74 172.34 1rjj s LEU 9 N 1.12 2.07 -0.02 8.88 0.20 -0.70 -0.71 118.68 129.52 1rjj s LEU 9 Ca -0.04 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.53 1rjj s LEU 9 Cb -0.14 -0.53 -0.00 0.00 -0.43 0.00 0.00 46.19 45.08 1rjj s LEU 9 CO -0.03 0.08 -0.11 0.54 -0.29 0.00 0.00 176.35 176.54 1rjj s VAL 10 N -0.46 0.91 -0.09 1.68 0.11 -1.00 -1.24 120.40 120.32 1rjj s VAL 10 Ca 0.03 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1rjj s VAL 10 Cb -0.05 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1rjj s VAL 10 CO 0.00 0.27 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.11 1rjj s VAL 11 N -0.09 2.09 0.02 2.04 1.01 0.58 -1.83 120.40 124.22 1rjj s VAL 11 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1rjj s VAL 11 Cb -0.06 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1rjj s VAL 11 CO 0.00 0.56 -0.07 0.68 0.00 0.00 0.00 175.10 176.28 1rjj s VAL 12 N 0.18 0.47 0.07 2.92 -7.23 -0.76 -2.24 120.40 113.80 1rjj s VAL 12 Ca -0.14 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1rjj s VAL 12 Cb -0.17 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 1rjj s VAL 12 CO 0.07 -0.19 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.75 1rjj s LYS 13 N -0.99 1.07 0.24 4.82 2.20 -1.24 -2.61 119.74 123.24 1rjj s LYS 13 Ca -0.05 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 54.68 1rjj s LYS 13 Cb -0.07 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.04 1rjj s LYS 13 CO 0.00 0.28 0.03 0.12 -0.36 0.00 0.00 175.35 175.43 1rjj s PHE 14 N -1.02 2.80 0.00 4.03 5.36 -1.26 -0.30 117.98 127.59 1rjj s PHE 14 Ca 0.04 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1rjj s PHE 14 Cb -0.09 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.32 1rjj s PHE 14 CO 0.02 0.58 0.83 0.36 -1.46 0.00 0.00 175.22 175.56 1rjj n LYS 15 N -0.78 0.00 -0.09 10.12 2.85 -1.26 -3.63 118.16 125.37 1rjj n LYS 15 Ca -0.07 0.73 -0.19 0.00 -1.05 0.00 0.00 58.31 57.73 1rjj n LYS 15 Cb 0.58 -1.33 -0.12 0.00 -0.65 0.00 0.00 35.03 33.51 1rjj n LYS 15 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1rjj h GLU 16 N 0.00 0.00 0.00 -1.58 5.08 -2.00 -3.49 114.58 112.59 1rjj h GLU 16 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rjj h GLU 16 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rjj h GLU 16 CO 0.00 1.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.54 1rjj n ASP 17 N -4.50 0.00 -4.47 1.42 2.03 -1.24 -5.14 116.55 104.65 1rjj n ASP 17 Ca -0.23 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.71 1rjj n ASP 17 Cb 0.60 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.07 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 1.82 -2.46 5.18 -1.04 -1.26 -4.82 114.28 111.70 1rjj n THR 18 Ca 0.00 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 1rjj n THR 18 Cb 0.00 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.73 1rjj n THR 18 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rjj s LYS 19 N -2.78 3.44 0.36 -2.82 0.00 -1.26 -4.78 119.74 111.90 1rjj s LYS 19 Ca 0.66 -1.15 0.07 0.00 0.00 0.00 0.00 55.97 55.54 1rjj s LYS 19 Cb -0.35 -5.34 0.67 0.00 0.00 0.00 0.00 37.83 32.81 1rjj s LYS 19 CO 0.58 -2.50 1.88 -0.39 0.00 0.00 0.00 175.35 174.92 1rjj h VAL 20 N 6.62 1.19 -0.46 1.79 -1.51 -1.94 -1.99 116.25 119.95 1rjj h VAL 20 Ca 0.23 -0.81 -0.09 0.00 -1.23 0.00 0.00 66.70 64.80 1rjj h VAL 20 Cb 0.98 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1rjj h VAL 20 CO 1.39 0.27 -0.05 -2.24 -1.23 0.00 0.00 177.57 175.71 1rjj h ASP 21 N 0.37 0.85 0.35 4.19 2.03 -1.99 0.56 116.42 122.79 1rjj h ASP 21 Ca 0.08 -0.33 -0.08 0.00 -0.73 0.00 0.00 57.03 55.96 1rjj h ASP 21 Cb 0.37 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1rjj h ASP 21 CO 0.02 0.98 -0.38 -0.33 -1.03 0.00 0.00 179.24 178.50 1rjj h GLU 22 N 0.70 0.03 -0.24 4.15 4.39 -1.90 -1.32 114.58 120.40 1rjj h GLU 22 Ca 0.13 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 1rjj h GLU 22 Cb 0.57 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1rjj h GLU 22 CO 0.03 0.40 -0.52 0.82 -1.16 0.00 0.00 179.01 178.59 1rjj h ILE 23 N 0.03 1.30 -0.88 3.13 1.08 -0.79 -2.68 117.51 118.71 1rjj h ILE 23 Ca 0.00 -1.73 0.14 0.00 -0.39 0.00 0.00 64.86 62.88 1rjj h ILE 23 Cb 0.68 1.67 -0.07 0.00 -3.07 0.00 0.00 36.82 36.03 1rjj h ILE 23 CO 0.05 0.55 0.57 0.25 -0.69 0.00 0.00 178.15 178.88 1rjj h LEU 24 N 0.53 0.63 -1.20 1.44 5.85 0.13 0.63 115.31 123.31 1rjj h LEU 24 Ca 0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1rjj h LEU 24 Cb 1.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1rjj h LEU 24 CO 0.10 0.32 0.11 0.11 -0.34 0.00 0.00 178.44 178.74 1rjj h LYS 25 N 0.66 0.66 0.28 1.25 6.56 -1.17 0.10 116.57 124.92 1rjj h LYS 25 Ca 0.44 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.90 1rjj h LYS 25 Cb 0.73 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1rjj h LYS 25 CO -0.20 0.60 -0.14 0.78 -2.06 0.00 0.00 179.45 178.44 1rjj h GLY 26 N 0.86 -0.39 -0.13 3.86 0.00 0.15 -1.96 103.07 105.45 1rjj h GLY 26 Ca 0.15 0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.76 1rjj h GLY 26 CO -0.00 -0.14 0.01 -2.00 0.00 0.00 0.00 176.54 174.40 1rjj h LEU 27 N -0.78 -0.28 -0.75 3.11 7.12 -0.50 1.42 115.31 124.66 1rjj h LEU 27 Ca -0.04 0.16 0.11 0.00 0.13 0.00 0.00 57.88 58.24 1rjj h LEU 27 Cb 0.51 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 40.84 1rjj h LEU 27 CO 0.06 -0.12 0.38 -0.33 -0.13 0.00 0.00 178.44 178.30 1rjj h GLU 28 N 0.12 0.60 -0.17 1.25 4.39 -0.71 0.40 114.58 120.46 1rjj h GLU 28 Ca 0.35 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1rjj h GLU 28 Cb 0.57 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1rjj h GLU 28 CO -0.56 0.40 0.03 -0.97 -1.16 0.00 0.00 179.01 176.75 1rjj h ASN 29 N 0.62 0.27 -0.79 1.42 -1.24 0.11 -2.55 115.58 113.42 1rjj h ASN 29 Ca 0.38 -0.25 0.17 0.00 0.71 0.00 0.00 56.30 57.31 1rjj h ASN 29 Cb 0.43 -0.07 -0.11 0.00 0.73 0.00 0.00 38.32 39.30 1rjj h ASN 29 CO -0.29 0.45 0.26 0.25 -1.29 0.00 0.00 177.43 176.81 1rjj h LEU 30 N 0.08 0.15 -2.17 0.34 7.12 0.39 1.48 115.31 122.70 1rjj h LEU 30 Ca 0.05 0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.27 1rjj h LEU 30 Cb 0.29 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1rjj h LEU 30 CO 0.00 -0.00 0.27 0.58 -0.13 0.00 0.00 178.44 179.16 1rjj h VAL 31 N 0.34 0.39 -1.06 1.05 2.07 0.11 -0.99 116.25 118.15 1rjj h VAL 31 Ca 0.46 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.34 1rjj h VAL 31 Cb 0.79 0.78 -0.15 0.00 -1.52 0.00 0.00 31.29 31.19 1rjj h VAL 31 CO -0.50 0.00 0.62 0.28 0.02 0.00 0.00 177.57 177.99 1rjj h SER 32 N 0.00 0.42 0.00 0.57 0.02 0.22 2.61 113.55 117.39 1rjj h SER 32 Ca 0.10 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1rjj h SER 32 Cb 0.64 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1rjj h SER 32 CO -0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.48 1rjj n GLN 33 N -5.02 0.38 -0.84 3.45 1.13 -0.38 -2.89 117.38 113.21 1rjj n GLN 33 Ca 0.34 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.35 1rjj n GLN 33 Cb 1.14 -1.46 0.23 0.00 0.11 0.00 0.00 30.24 30.26 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 -0.96 2.68 0.02 5.09 5.41 0.88 -4.42 119.36 128.06 1rjj n ILE 34 Ca 0.08 -2.23 0.00 0.00 1.00 0.00 0.00 62.75 61.61 1rjj n ILE 34 Cb 0.04 -0.34 0.01 0.00 -0.71 0.00 0.00 39.64 38.64 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 -0.83 0.00 -0.20 4.38 5.68 -1.14 0.15 116.55 124.59 1rjj n ASP 35 Ca 0.37 0.42 0.15 0.00 -0.50 0.00 0.00 54.79 55.22 1rjj n ASP 35 Cb 1.18 -0.42 0.75 0.00 -1.14 0.00 0.00 41.12 41.49 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 -1.42 0.00 -2.91 2.12 -2.24 -1.26 -4.87 114.28 103.70 1rjj n THR 36 Ca 0.00 -0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1rjj n THR 36 Cb 0.01 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.49 0.00 -2.07 2.28 0.24 0.41 -4.64 118.33 114.05 1rjj n VAL 37 Ca 0.22 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.29 1rjj n VAL 37 Cb 0.21 -0.23 0.02 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.22 3.52 -3.92 7.34 2.85 -1.26 -5.03 118.16 119.44 1rjj n LYS 38 Ca 0.06 -4.15 0.01 0.00 -1.05 0.00 0.00 58.31 53.18 1rjj n LYS 38 Cb 0.23 -2.25 0.01 0.00 -0.65 0.00 0.00 35.03 32.38 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 -3.61 -0.00 0.04 -5.58 0.15 -1.26 -1.63 113.70 101.80 1rjj s SER 39 Ca 0.50 -0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 1rjj s SER 39 Cb 0.41 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1rjj s SER 39 CO 0.03 -0.50 0.12 -0.36 1.20 0.00 0.00 173.24 173.74 1rjj s PHE 40 N -2.12 0.15 -0.26 3.44 0.08 0.29 -4.91 117.98 114.66 1rjj s PHE 40 Ca 0.26 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 1rjj s PHE 40 Cb -0.01 -0.11 0.09 0.00 -0.57 0.00 0.00 43.02 42.42 1rjj s PHE 40 CO 0.01 -0.38 0.62 -1.21 -0.10 0.00 0.00 175.22 174.16 1rjj s GLU 41 N -2.51 0.60 0.30 0.44 2.02 -1.26 -0.55 118.70 117.75 1rjj s GLU 41 Ca -0.06 1.18 0.03 0.00 0.02 0.00 0.00 54.97 56.14 1rjj s GLU 41 Cb -0.02 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 1rjj s GLU 41 CO -0.04 -0.17 0.12 -1.58 0.02 0.00 0.00 175.26 173.61 1rjj s TRP 42 N 1.90 1.65 0.20 1.61 0.51 -1.12 -4.97 118.94 118.72 1rjj s TRP 42 Ca -0.09 -1.23 0.03 0.00 -2.12 0.00 0.00 56.10 52.70 1rjj s TRP 42 Cb -0.07 -0.97 -0.05 0.00 -0.81 0.00 0.00 33.47 31.56 1rjj s TRP 42 CO -0.18 -0.35 -0.03 0.20 -0.51 0.00 0.00 176.95 176.08 1rjj s GLY 43 N -3.40 1.37 -0.10 0.98 0.00 -1.26 -2.66 107.32 102.25 1rjj s GLY 43 Ca 0.35 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 1rjj s GLY 43 CO 0.15 -1.62 0.33 -0.54 0.00 0.00 0.00 173.10 171.42 1rjj s GLU 44 N -3.84 0.47 0.17 2.90 2.02 -0.93 -4.96 118.70 114.52 1rjj s GLU 44 Ca 0.24 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.62 1rjj s GLU 44 Cb 0.05 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 1rjj s GLU 44 CO 0.06 -0.08 -0.17 -0.51 0.02 0.00 0.00 175.26 174.57 1rjj s ASP 45 N -0.20 2.61 -1.02 -0.19 1.01 -1.26 -1.60 116.67 116.02 1rjj s ASP 45 Ca -0.03 -0.88 -0.26 0.00 0.71 0.00 0.00 52.55 52.09 1rjj s ASP 45 Cb -0.03 -0.15 -0.22 0.00 1.01 0.00 0.00 42.92 43.53 1rjj s ASP 45 CO 0.01 -0.06 2.13 2.29 0.21 0.00 0.00 175.17 179.75 1rjj n LYS 46 N 0.22 0.15 -1.41 8.23 0.00 -1.23 -4.62 118.16 119.50 1rjj n LYS 46 Ca -0.13 -1.54 -0.32 0.00 -0.00 0.00 0.00 58.31 56.32 1rjj n LYS 46 Cb 0.57 -3.83 0.08 0.00 -0.00 0.00 0.00 35.03 31.85 1rjj n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1rjj n GLU 47 N 8.12 2.79 -4.13 -1.58 1.02 -1.26 -4.97 120.64 120.63 1rjj n GLU 47 Ca 0.41 -3.40 -0.11 0.00 -0.02 0.00 0.00 57.16 54.04 1rjj n GLU 47 Cb 0.46 -2.28 -0.09 0.00 -0.02 0.00 0.00 31.44 29.52 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1rjj s SER 48 N -2.07 0.14 0.30 1.62 0.01 -1.26 -5.06 113.70 107.38 1rjj s SER 48 Ca 0.62 -1.21 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 1rjj s SER 48 Cb 0.49 0.40 -0.14 0.00 0.21 0.00 0.00 66.02 66.98 1rjj s SER 48 CO 0.00 -0.87 0.89 1.41 0.41 0.00 0.00 173.24 175.09 1rjj n HIS 49 N -0.24 0.84 -0.29 2.43 8.25 -1.26 -4.01 115.22 120.94 1rjj n HIS 49 Ca -0.01 0.72 0.10 0.00 -0.26 0.00 0.00 57.72 58.27 1rjj n HIS 49 Cb 0.64 -2.18 0.23 0.00 1.12 0.00 0.00 29.99 29.81 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 1.70 -0.28 0.09 0.41 3.32 -1.97 2.18 116.42 121.87 1rjj h ASP 50 Ca -0.38 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1rjj h ASP 50 Cb 1.36 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 1rjj h ASP 50 CO 0.59 -0.22 -0.07 -0.03 -1.72 0.00 0.00 179.24 177.79 1rjj h MET 51 N 0.11 0.00 0.00 3.56 4.05 -2.00 -2.58 114.93 118.07 1rjj h MET 51 Ca 0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 1rjj h MET 51 Cb 0.98 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1rjj h MET 51 CO -0.73 0.07 -1.81 1.28 0.23 0.00 0.00 176.91 175.95 1rjj n LEU 52 N -4.31 0.08 0.00 3.39 4.77 0.26 -4.30 117.00 116.88 1rjj n LEU 52 Ca -0.03 -0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1rjj n LEU 52 Cb 0.15 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.72 1rjj n LEU 52 CO 0.34 0.02 0.78 -2.11 -1.33 0.00 0.00 177.39 175.09 1rjj n ARG 53 N -2.12 0.29 -0.05 3.23 1.85 0.67 -4.81 116.66 115.71 1rjj n ARG 53 Ca -0.03 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1rjj n ARG 53 Cb 0.49 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 1rjj n ARG 53 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1rjj n GLN 54 N -1.27 0.00 0.00 2.89 0.00 -1.19 -3.22 117.38 114.59 1rjj n GLN 54 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 1rjj n GLN 54 Cb 0.14 -3.21 0.00 0.00 0.00 0.00 0.00 30.24 27.18 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rjj n GLY 55 N -1.53 1.92 3.71 1.69 0.00 -1.26 -4.96 105.19 104.75 1rjj n GLY 55 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rjj n GLY 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rjj n PHE 56 N -1.89 2.72 -0.28 1.61 -1.74 -1.20 -4.86 117.46 111.83 1rjj n PHE 56 Ca 0.00 0.05 0.04 0.00 -0.56 0.00 0.00 57.45 56.98 1rjj n PHE 56 Cb 0.00 -2.67 0.17 0.00 1.52 0.00 0.00 39.48 38.51 1rjj n PHE 56 CO 0.00 0.00 0.00 1.79 -0.56 0.00 0.00 176.76 177.99 1rjj h THR 57 N 3.80 0.83 -1.64 1.97 1.35 -1.87 -3.30 112.91 114.05 1rjj h THR 57 Ca -0.43 -0.23 0.22 0.00 -0.55 0.00 0.00 66.41 65.41 1rjj h THR 57 Cb 1.21 0.10 -0.18 0.00 -1.73 0.00 0.00 68.15 67.54 1rjj h THR 57 CO 0.95 0.12 0.74 -2.28 -0.25 0.00 0.00 175.52 174.80 1rjj s HIS 58 N -6.02 -0.18 0.18 4.73 2.46 -1.10 -3.58 115.29 111.78 1rjj s HIS 58 Ca -0.12 0.13 -0.04 0.00 0.47 0.00 0.00 55.06 55.49 1rjj s HIS 58 Cb 0.20 0.52 -0.03 0.00 -0.13 0.00 0.00 32.58 33.13 1rjj s HIS 58 CO 0.77 -0.28 0.19 0.00 -2.47 0.00 0.00 174.74 172.95 1rjj s ALA 59 N -2.49 0.67 -0.05 1.58 0.00 -0.62 -1.83 121.76 119.02 1rjj s ALA 59 Ca 0.08 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1rjj s ALA 59 Cb -0.01 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.24 1rjj s ALA 59 CO -0.05 -0.61 -0.06 -0.06 0.00 0.00 0.00 175.76 174.97 1rjj s PHE 60 N -4.07 0.93 -0.47 0.00 0.08 -0.76 -2.20 117.98 111.49 1rjj s PHE 60 Ca 0.29 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 1rjj s PHE 60 Cb 0.05 -0.77 0.11 0.00 -0.57 0.00 0.00 43.02 41.85 1rjj s PHE 60 CO 0.07 -0.22 0.34 -1.12 -0.10 0.00 0.00 175.22 174.19 1rjj s SER 61 N 0.87 5.71 -0.18 1.36 0.01 -1.09 -2.36 113.70 118.02 1rjj s SER 61 Ca -0.12 -1.85 -0.07 0.00 1.31 0.00 0.00 55.95 55.22 1rjj s SER 61 Cb -0.15 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1rjj s SER 61 CO 0.01 -0.68 0.05 -0.04 0.41 0.00 0.00 173.24 172.99 1rjj s MET 62 N 1.38 3.90 0.02 12.44 -1.94 0.12 -2.80 119.30 132.41 1rjj s MET 62 Ca 0.05 -0.38 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 1rjj s MET 62 Cb -0.26 -3.17 -0.02 0.00 2.01 0.00 0.00 34.83 33.39 1rjj s MET 62 CO -0.00 0.23 -0.18 0.99 -0.01 0.00 0.00 175.02 176.05 1rjj s THR 63 N 0.47 1.45 -0.08 2.05 2.01 0.29 0.40 115.64 122.23 1rjj s THR 63 Ca 0.02 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1rjj s THR 63 Cb -0.13 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1rjj s THR 63 CO 0.01 0.22 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.62 1rjj s PHE 64 N -0.68 1.99 0.46 4.92 0.08 -0.12 0.11 117.98 124.73 1rjj s PHE 64 Ca 0.06 -0.78 0.27 0.00 0.12 0.00 0.00 56.93 56.60 1rjj s PHE 64 Cb -0.08 -1.38 1.31 0.00 -0.57 0.00 0.00 43.02 42.31 1rjj s PHE 64 CO 0.01 -0.34 1.77 1.49 -0.10 0.00 0.00 175.22 178.05 1rjj h GLU 65 N 6.83 0.20 -2.85 0.44 4.81 -1.63 -2.36 114.58 120.02 1rjj h GLU 65 Ca -0.25 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1rjj h GLU 65 Cb 1.21 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 1rjj h GLU 65 CO 0.47 0.13 0.28 0.54 -0.73 0.00 0.00 179.01 179.71 1rjj s ASN 66 N -5.14 -0.34 0.63 1.04 2.20 -1.26 -4.47 114.94 107.60 1rjj s ASN 66 Ca -0.07 -0.36 0.32 0.00 -0.94 0.00 0.00 52.86 51.81 1rjj s ASN 66 Cb 0.25 0.63 1.75 0.00 -2.00 0.00 0.00 41.25 41.88 1rjj s ASN 66 CO 0.80 -1.12 2.04 0.50 -2.94 0.00 0.00 177.10 176.39 1rjj h LYS 67 N 2.00 0.00 -0.97 3.55 1.63 -1.95 -2.41 116.57 118.41 1rjj h LYS 67 Ca -0.24 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.69 1rjj h LYS 67 Cb 1.26 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.80 1rjj h LYS 67 CO 0.28 0.00 0.59 0.22 -3.45 0.00 0.00 179.45 177.10 1rjj h ASP 68 N 0.00 0.83 0.02 4.20 3.58 -1.95 0.13 116.42 123.23 1rjj h ASP 68 Ca 0.06 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.41 1rjj h ASP 68 Cb 0.58 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1rjj h ASP 68 CO -0.00 0.41 -0.53 1.23 -2.88 0.00 0.00 179.24 177.46 1rjj h GLY 69 N 0.89 0.61 0.95 -0.78 0.00 -1.73 -1.96 103.07 101.04 1rjj h GLY 69 Ca 0.50 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1rjj h GLY 69 CO -0.30 0.62 0.11 -1.82 0.00 0.00 0.00 176.54 175.16 1rjj h TYR 70 N 0.43 0.71 0.00 5.60 5.03 -0.96 -1.10 116.97 126.67 1rjj h TYR 70 Ca 0.01 -0.08 -0.10 0.00 2.58 0.00 0.00 58.73 61.14 1rjj h TYR 70 Cb 1.07 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 1rjj h TYR 70 CO 0.04 0.66 -0.48 -0.39 -1.32 0.00 0.00 178.16 176.67 1rjj h VAL 71 N 0.55 1.24 0.69 1.81 -1.51 -0.85 -2.51 116.25 115.67 1rjj h VAL 71 Ca 0.14 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.87 1rjj h VAL 71 Cb 0.30 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1rjj h VAL 71 CO -0.00 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.48 1rjj h ALA 72 N 1.52 -1.00 -0.36 5.19 0.00 -0.85 0.74 119.26 124.50 1rjj h ALA 72 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rjj h ALA 72 Cb 0.91 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1rjj h ALA 72 CO 0.06 -0.93 0.21 0.35 0.00 0.00 0.00 179.25 178.95 1rjj h PHE 73 N -1.17 0.40 -0.24 0.00 3.04 -1.25 -2.50 116.94 115.23 1rjj h PHE 73 Ca -0.10 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.73 1rjj h PHE 73 Cb 0.71 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1rjj h PHE 73 CO 0.01 0.23 -0.43 0.00 -2.02 0.00 0.00 178.31 176.11 1rjj h THR 74 N 0.43 1.30 0.00 4.41 1.03 -1.51 -2.96 112.91 115.62 1rjj h THR 74 Ca 0.14 -1.61 -0.04 0.00 -0.01 0.00 0.00 66.41 64.89 1rjj h THR 74 Cb 0.00 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.67 1rjj h THR 74 CO -0.07 0.51 -0.20 0.77 -0.01 0.00 0.00 175.52 176.53 1rjj h SER 75 N 0.47 0.00 -4.11 0.00 4.64 -0.57 -3.44 113.55 110.55 1rjj h SER 75 Ca 0.03 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.86 1rjj h SER 75 Cb 0.94 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.09 1rjj h SER 75 CO 0.08 0.20 0.40 -1.00 -0.87 0.00 0.00 176.83 175.64 1rjj s HIS 76 N -4.28 2.82 -1.47 4.77 3.76 -0.96 -4.91 115.29 115.02 1rjj s HIS 76 Ca -0.03 1.55 0.15 0.00 -0.15 0.00 0.00 55.06 56.58 1rjj s HIS 76 Cb 0.14 -3.16 0.77 0.00 1.11 0.00 0.00 32.58 31.44 1rjj s HIS 76 CO 0.65 -1.27 1.42 -0.35 -0.85 0.00 0.00 174.74 174.33 1rjj n PRO 77 N -1.43 0.23 0.15 8.40 -0.04 -1.26 -3.07 135.00 137.99 1rjj n PRO 77 Ca 0.10 0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1rjj n PRO 77 Cb 0.52 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.00 0.21 1.53 5.85 -1.91 -3.10 115.31 117.89 1rjj h LEU 78 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1rjj h LEU 78 Cb 0.13 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.19 1rjj h LEU 78 CO 0.00 0.56 -1.52 -0.74 -0.34 0.00 0.00 178.44 176.40 1rjj h HIS 79 N 0.00 0.80 0.83 1.25 2.76 -1.74 -3.02 115.15 116.03 1rjj h HIS 79 Ca -0.01 -0.59 -0.04 0.00 -2.20 0.00 0.00 60.37 57.54 1rjj h HIS 79 Cb 1.08 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.02 1rjj h HIS 79 CO 0.00 1.59 -0.40 0.28 -1.30 0.00 0.00 177.93 178.10 1rjj h VAL 80 N 0.05 0.00 -0.94 5.26 2.07 -1.72 1.49 116.25 122.45 1rjj h VAL 80 Ca -0.29 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.38 1rjj h VAL 80 Cb 2.06 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 1rjj h VAL 80 CO 0.21 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 178.07 1rjj h GLU 81 N -1.13 0.71 -0.04 1.57 4.39 -1.72 0.76 114.58 119.12 1rjj h GLU 81 Ca -0.11 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.36 1rjj h GLU 81 Cb 0.85 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1rjj h GLU 81 CO 0.19 0.47 -0.78 0.74 -1.16 0.00 0.00 179.01 178.47 1rjj h PHE 82 N 0.73 0.39 -0.55 4.33 -1.00 -1.34 -3.12 116.94 116.38 1rjj h PHE 82 Ca 0.49 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 1rjj h PHE 82 Cb 0.79 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1rjj h PHE 82 CO -0.00 0.95 0.32 1.03 -1.61 0.00 0.00 178.31 178.99 1rjj h SER 83 N 0.18 0.68 -0.80 2.17 0.87 0.45 0.52 113.55 117.61 1rjj h SER 83 Ca -0.03 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1rjj h SER 83 Cb 1.36 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 1rjj h SER 83 CO 0.12 0.55 0.46 0.00 -0.53 0.00 0.00 176.83 177.44 1rjj h ALA 84 N 1.15 1.03 -0.32 6.23 0.00 -1.40 -2.34 119.26 123.60 1rjj h ALA 84 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1rjj h ALA 84 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1rjj h ALA 84 CO -0.03 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 1rjj h ALA 85 N 1.24 0.45 -1.57 0.00 0.00 -1.36 -2.29 119.26 115.75 1rjj h ALA 85 Ca 0.28 -0.33 0.46 0.00 0.00 0.00 0.00 54.91 55.33 1rjj h ALA 85 Cb 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 1rjj h ALA 85 CO -0.05 0.35 1.10 0.74 0.00 0.00 0.00 179.25 181.39 1rjj h PHE 86 N 0.43 0.15 0.00 0.00 -1.00 0.58 0.29 116.94 117.39 1rjj h PHE 86 Ca 0.07 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1rjj h PHE 86 Cb 0.67 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1rjj h PHE 86 CO 0.06 -0.04 -0.02 1.15 -1.61 0.00 0.00 178.31 177.85 1rjj h THR 87 N 0.04 0.00 -0.41 -1.55 2.02 -1.29 -1.69 112.91 110.02 1rjj h THR 87 Ca 0.79 -0.78 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1rjj h THR 87 Cb 2.98 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1rjj h THR 87 CO -0.11 0.00 1.04 0.00 0.37 0.00 0.00 175.52 176.82 1rjj h ALA 88 N -1.22 2.35 -0.17 6.16 0.00 -0.39 2.15 119.26 128.14 1rjj h ALA 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rjj h ALA 88 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rjj h ALA 88 CO 0.00 -1.25 0.00 1.33 0.00 0.00 0.00 179.25 179.33 1rjj n VAL 89 N -2.84 0.73 -4.38 0.00 0.24 0.76 -5.01 118.33 107.83 1rjj n VAL 89 Ca 0.09 -0.86 -0.22 0.00 -2.04 0.00 0.00 64.34 61.31 1rjj n VAL 89 Cb 1.17 0.68 -0.11 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.89 2.04 -0.12 1.34 1.01 0.73 -4.74 121.20 120.56 1rjj s ILE 90 Ca 0.13 -2.15 0.10 0.00 0.00 0.00 0.00 60.65 58.74 1rjj s ILE 90 Cb 0.07 -2.06 -0.14 0.00 0.01 0.00 0.00 42.46 40.34 1rjj s ILE 90 CO 0.10 -0.39 0.04 -0.67 0.00 0.00 0.00 174.94 174.01 1rjj n ASP 91 N -0.14 2.11 -3.82 3.58 2.03 0.59 -4.82 116.55 116.09 1rjj n ASP 91 Ca -0.09 -0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.09 1rjj n ASP 91 Cb 0.59 0.76 -0.11 0.00 -0.72 0.00 0.00 41.12 41.64 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 -2.29 0.32 -0.12 -0.67 -2.85 -1.13 -4.98 119.74 108.02 1rjj s LYS 92 Ca -0.06 0.09 0.01 0.00 -1.00 0.00 0.00 55.97 55.01 1rjj s LYS 92 Cb 0.04 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 1rjj s LYS 92 CO 0.48 -0.06 -0.14 -1.50 0.10 0.00 0.00 175.35 174.23 1rjj s ILE 93 N -0.34 1.48 -0.07 3.79 1.10 -1.26 -3.61 121.20 122.30 1rjj s ILE 93 Ca -0.04 -0.61 0.03 0.00 -0.51 0.00 0.00 60.65 59.52 1rjj s ILE 93 Cb -0.03 -1.37 0.01 0.00 0.15 0.00 0.00 42.46 41.21 1rjj s ILE 93 CO 0.01 0.44 -0.16 -0.69 -2.11 0.00 0.00 174.94 172.43 1rjj s VAL 94 N 1.18 1.42 -0.02 4.00 1.01 -0.95 -4.99 120.40 122.05 1rjj s VAL 94 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1rjj s VAL 94 Cb -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1rjj s VAL 94 CO -0.05 0.42 -0.00 -0.76 0.00 0.00 0.00 175.10 174.71 1rjj s LEU 95 N 0.41 1.43 -0.12 3.92 1.02 -1.26 -0.31 118.68 123.77 1rjj s LEU 95 Ca -0.12 -0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.03 1rjj s LEU 95 Cb -0.15 -0.16 0.01 0.00 0.02 0.00 0.00 46.19 45.91 1rjj s LEU 95 CO 0.04 -0.06 -0.21 -0.76 0.02 0.00 0.00 176.35 175.38 1rjj s LEU 96 N 0.67 2.03 -0.08 1.79 1.02 -0.37 -4.96 118.68 118.78 1rjj s LEU 96 Ca -0.06 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.56 1rjj s LEU 96 Cb -0.09 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.77 1rjj s LEU 96 CO -0.01 0.09 -0.18 -0.62 0.02 0.00 0.00 176.35 175.65 1rjj s ASP 97 N 0.71 2.38 -0.26 2.29 -1.08 -1.26 -1.72 116.67 117.73 1rjj s ASP 97 Ca -0.10 -0.42 -0.11 0.00 -0.52 0.00 0.00 52.55 51.40 1rjj s ASP 97 Cb -0.16 -1.06 0.10 0.00 -1.46 0.00 0.00 42.92 40.34 1rjj s ASP 97 CO 0.01 0.10 0.59 0.12 0.52 0.00 0.00 175.17 176.51 1rjj s PHE 98 N 0.47 -1.08 0.12 -5.34 2.19 -0.96 -5.01 117.98 108.37 1rjj s PHE 98 Ca -0.16 2.01 -0.34 0.00 0.33 0.00 0.00 56.93 58.77 1rjj s PHE 98 Cb -0.16 0.61 -0.17 0.00 -1.31 0.00 0.00 43.02 41.98 1rjj s PHE 98 CO 0.06 -0.56 1.06 -2.30 1.83 0.00 0.00 175.22 175.32 1rjj n PRO 99 N 4.96 0.69 -4.54 10.12 -0.02 -1.26 -3.39 135.00 141.55 1rjj n PRO 99 Ca -0.15 0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 1rjj n PRO 99 Cb 0.53 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 1rjj n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rjj s VAL 100 N -0.19 3.69 -0.57 -1.45 1.01 0.12 -4.87 120.40 118.14 1rjj s VAL 100 Ca 0.78 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1rjj s VAL 100 Cb -0.98 -2.57 0.15 0.00 0.00 0.00 0.00 36.38 32.98 1rjj s VAL 100 CO 0.53 0.53 0.40 0.00 0.00 0.00 0.00 175.10 176.56 1rjj s ALA 101 N -0.03 3.49 -0.31 5.51 0.00 -1.26 -1.34 121.76 127.81 1rjj s ALA 101 Ca 0.00 -2.99 -0.27 0.00 0.00 0.00 0.00 51.96 48.70 1rjj s ALA 101 Cb -0.13 -2.69 -0.28 0.00 0.00 0.00 0.00 23.12 20.01 1rjj s ALA 101 CO 0.03 -2.02 1.72 0.00 0.00 0.00 0.00 175.76 175.49 1rjj n ALA 102 N 3.98 1.85 -3.37 0.00 0.00 -1.26 -4.68 120.51 117.03 1rjj n ALA 102 Ca 0.04 -2.90 -0.09 0.00 0.00 0.00 0.00 53.44 50.49 1rjj n ALA 102 Cb 0.40 -3.68 -0.08 0.00 0.00 0.00 0.00 19.45 16.08 1rjj n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rjj s VAL 103 N 6.15 -0.61 0.00 0.00 -7.23 -1.26 -4.99 120.40 112.46 1rjj s VAL 103 Ca 0.63 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1rjj s VAL 103 Cb 0.15 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1rjj s VAL 103 CO 0.25 -0.10 0.44 0.29 -0.31 0.00 0.00 175.10 175.66 1rjj n LYS 104 N 5.37 -0.30 0.00 4.82 4.76 -1.26 -4.97 118.16 126.58 1rjj n LYS 104 Ca -0.04 -0.49 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 1rjj n LYS 104 Cb 0.50 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 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 -0.05 0.00 -3.22 4.39 7.64 -1.26 -3.75 113.62 117.36 1rjj n SER 105 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1rjj n SER 105 Cb 0.10 -0.22 0.08 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.11 -4.05 0.00 6.43 7.64 -1.26 -4.97 113.62 117.52 1rjj n SER 106 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1rjj n SER 106 Cb 0.00 -4.90 0.00 0.00 -1.01 0.00 0.00 64.21 58.30 1rjj n SER 106 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1rjj n VAL 107 N -3.57 0.00 0.00 0.44 0.31 -1.25 -5.16 118.33 109.10 1rjj n VAL 107 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1rjj n VAL 107 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1rjj n VAL 107 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1rjj n VAL 108 N 0.00 0.00 -4.13 2.52 3.14 -1.26 -5.16 118.33 113.44 1rjj n VAL 108 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1rjj n VAL 108 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 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 -2.00 0.80 0.61 1.55 0.00 -1.26 -5.13 121.76 116.34 1rjj s ALA 109 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 1rjj s ALA 109 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1rjj s ALA 109 CO 0.00 -0.19 1.08 -0.08 0.00 0.00 0.00 175.76 176.57 1rjj s THR 110 N -3.01 3.57 -2.00 0.00 -1.32 -1.26 -5.28 115.64 106.33 1rjj s THR 110 Ca 0.05 0.75 0.24 0.00 -1.21 0.00 0.00 61.69 61.52 1rjj s THR 110 Cb 0.01 -3.27 0.69 0.00 -1.51 0.00 0.00 72.50 68.42 1rjj s THR 110 CO -0.04 -0.43 1.82 -0.81 -2.21 0.00 0.00 174.62 172.95