#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 3.04 0.00 -1.26 -4.18 120.51 118.11 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 0.05 0.00 5.66 -1.25 -4.98 114.28 113.76 1rjj n THR 3 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1rjj n THR 3 Cb 0.00 -0.15 -0.01 0.00 -1.55 0.00 0.00 70.33 68.62 1rjj n THR 3 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1rjj h SER 4 N 0.00 -0.11 -0.32 1.09 0.02 -1.87 -3.49 113.55 108.86 1rjj h SER 4 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rjj h SER 4 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1rjj h SER 4 CO 0.00 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 1rjj n GLY 5 N -1.06 2.42 3.52 -3.77 0.00 -1.02 -4.81 105.19 100.47 1rjj n GLY 5 Ca -0.02 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1rjj n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rjj s PHE 6 N -4.83 2.94 -0.20 1.61 0.08 0.07 -2.12 117.98 115.52 1rjj s PHE 6 Ca 0.00 -0.18 -0.10 0.00 0.12 0.00 0.00 56.93 56.77 1rjj s PHE 6 Cb 0.00 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1rjj s PHE 6 CO 0.00 0.13 0.13 0.21 -0.10 0.00 0.00 175.22 175.59 1rjj s LYS 7 N -0.27 4.15 -0.16 0.44 2.20 -1.18 -0.27 119.74 124.64 1rjj s LYS 7 Ca 0.04 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1rjj s LYS 7 Cb -0.13 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1rjj s LYS 7 CO 0.02 0.27 -0.18 -1.58 -0.36 0.00 0.00 175.35 173.53 1rjj s HIS 8 N 0.44 2.51 0.01 4.03 5.65 0.79 -2.01 115.29 126.70 1rjj s HIS 8 Ca 0.07 -1.44 0.03 0.00 0.25 0.00 0.00 55.06 53.97 1rjj s HIS 8 Cb -0.11 -1.77 -0.01 0.00 -1.18 0.00 0.00 32.58 29.50 1rjj s HIS 8 CO -0.01 -0.73 -0.11 -1.17 -0.65 0.00 0.00 174.74 172.07 1rjj s LEU 9 N 1.33 2.07 -0.01 8.88 0.20 -0.86 0.99 118.68 131.27 1rjj s LEU 9 Ca 0.04 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.63 1rjj s LEU 9 Cb -0.13 -0.51 -0.01 0.00 -0.43 0.00 0.00 46.19 45.12 1rjj s LEU 9 CO -0.11 0.08 -0.11 0.54 -0.29 0.00 0.00 176.35 176.46 1rjj s VAL 10 N -0.45 0.87 -0.05 1.68 0.11 -0.99 -1.28 120.40 120.29 1rjj s VAL 10 Ca 0.02 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1rjj s VAL 10 Cb -0.05 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1rjj s VAL 10 CO 0.00 0.25 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.17 1rjj s VAL 11 N -0.17 1.36 0.04 2.04 1.01 0.17 -2.03 120.40 122.82 1rjj s VAL 11 Ca 0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1rjj s VAL 11 Cb -0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1rjj s VAL 11 CO -0.00 0.40 0.01 0.68 0.00 0.00 0.00 175.10 176.19 1rjj s VAL 12 N 0.21 0.16 0.16 2.92 -7.23 -0.99 -1.31 120.40 114.34 1rjj s VAL 12 Ca -0.07 -1.35 0.11 0.00 -1.81 0.00 0.00 61.98 58.86 1rjj s VAL 12 Cb -0.13 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1rjj s VAL 12 CO 0.03 -0.75 -0.25 -0.75 -0.31 0.00 0.00 175.10 173.07 1rjj s LYS 13 N -2.91 1.48 0.11 4.82 2.47 -1.22 -2.90 119.74 121.60 1rjj s LYS 13 Ca -0.02 -1.44 0.05 0.00 -1.56 0.00 0.00 55.97 53.00 1rjj s LYS 13 Cb 0.01 -1.88 -0.04 0.00 -1.46 0.00 0.00 37.83 34.45 1rjj s LYS 13 CO -0.06 0.42 0.04 -0.59 0.16 0.00 0.00 175.35 175.32 1rjj s PHE 14 N -1.39 3.04 0.00 4.03 -0.12 -1.26 0.13 117.98 122.41 1rjj s PHE 14 Ca 0.18 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 1rjj s PHE 14 Cb -0.09 -1.53 0.00 0.00 -0.63 0.00 0.00 43.02 40.77 1rjj s PHE 14 CO 0.08 0.50 0.00 0.36 -0.05 0.00 0.00 175.22 176.11 1rjj n LYS 15 N 0.29 2.19 -0.08 1.99 -0.00 -1.26 -4.76 118.16 116.53 1rjj n LYS 15 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.11 1rjj n LYS 15 Cb 0.53 -0.85 -0.05 0.00 -0.00 0.00 0.00 35.03 34.66 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 -1.23 0.49 0.00 -1.58 2.13 -1.26 -5.00 120.64 114.19 1rjj n GLU 16 Ca 0.00 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1rjj n GLU 16 Cb 0.13 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1rjj n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1rjj n ASP 17 N -4.55 0.00 -4.49 4.31 8.00 -1.26 -5.09 116.55 113.47 1rjj n ASP 17 Ca -0.16 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 54.88 1rjj n ASP 17 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1rjj n THR 18 N 0.00 0.13 -2.21 -3.53 -1.04 -1.26 -4.82 114.28 101.56 1rjj n THR 18 Ca 0.00 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.34 1rjj n THR 18 Cb 0.00 -1.84 -0.04 0.00 -1.82 0.00 0.00 70.33 66.63 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 6.94 2.89 0.35 -2.82 0.00 -1.26 -4.76 119.74 121.08 1rjj s LYS 19 Ca 1.09 -0.93 0.08 0.00 0.00 0.00 0.00 55.97 56.22 1rjj s LYS 19 Cb -0.71 -5.23 0.79 0.00 0.00 0.00 0.00 37.83 32.68 1rjj s LYS 19 CO 0.43 -3.24 1.88 -0.39 0.00 0.00 0.00 175.35 174.03 1rjj h VAL 20 N 6.62 0.87 -0.52 1.79 -1.51 -1.99 -0.08 116.25 121.43 1rjj h VAL 20 Ca 0.20 -0.25 -0.05 0.00 -1.23 0.00 0.00 66.70 65.38 1rjj h VAL 20 Cb 0.97 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 1rjj h VAL 20 CO 1.28 0.13 0.14 -2.24 -1.23 0.00 0.00 177.57 175.65 1rjj h ASP 21 N 0.72 0.73 -0.00 4.19 2.03 -1.99 0.55 116.42 122.65 1rjj h ASP 21 Ca 0.43 -0.12 -0.19 0.00 -0.73 0.00 0.00 57.03 56.42 1rjj h ASP 21 Cb 0.64 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1rjj h ASP 21 CO -0.19 0.71 -0.68 -0.33 -1.03 0.00 0.00 179.24 177.72 1rjj h GLU 22 N 0.77 0.64 -0.52 4.15 5.08 -1.47 -2.64 114.58 120.59 1rjj h GLU 22 Ca 0.17 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1rjj h GLU 22 Cb 0.26 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1rjj h GLU 22 CO -0.00 1.10 0.30 0.82 -1.00 0.00 0.00 179.01 180.22 1rjj h ILE 23 N 0.45 1.04 -1.05 3.13 1.08 -0.43 0.13 117.51 121.87 1rjj h ILE 23 Ca -0.02 -0.20 0.27 0.00 -0.39 0.00 0.00 64.86 64.51 1rjj h ILE 23 Cb 1.27 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 1rjj h ILE 23 CO 0.13 0.11 0.67 0.25 -0.69 0.00 0.00 178.15 178.63 1rjj h LEU 24 N 0.60 0.43 -1.18 1.44 5.85 0.44 1.39 115.31 124.27 1rjj h LEU 24 Ca 0.21 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1rjj h LEU 24 Cb 0.04 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1rjj h LEU 24 CO -0.10 0.08 0.56 0.50 -0.34 0.00 0.00 178.44 179.14 1rjj h LYS 25 N 0.38 1.01 0.00 1.25 3.64 -0.48 0.53 116.57 122.90 1rjj h LYS 25 Ca 0.60 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.84 1rjj h LYS 25 Cb 1.54 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1rjj h LYS 25 CO -0.29 0.67 -0.34 0.78 -2.27 0.00 0.00 179.45 177.99 1rjj h GLY 26 N 1.04 0.00 0.24 5.01 0.00 0.19 -2.35 103.07 107.20 1rjj h GLY 26 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1rjj h GLY 26 CO -0.11 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.31 1rjj h LEU 27 N 0.00 -0.28 -1.84 3.11 6.46 0.17 -0.85 115.31 122.08 1rjj h LEU 27 Ca -0.00 0.01 0.28 0.00 -0.12 0.00 0.00 57.88 58.05 1rjj h LEU 27 Cb 0.93 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.88 1rjj h LEU 27 CO 0.04 0.17 0.70 1.05 -0.62 0.00 0.00 178.44 179.79 1rjj h GLU 28 N -1.07 0.10 -0.42 1.25 4.11 -0.39 1.62 114.58 119.78 1rjj h GLU 28 Ca -0.03 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 1rjj h GLU 28 Cb 0.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1rjj h GLU 28 CO 0.06 0.07 0.04 -0.91 0.07 0.00 0.00 179.01 178.34 1rjj h ASN 29 N 0.11 0.70 -0.52 3.06 2.35 -1.34 -2.81 115.58 117.14 1rjj h ASN 29 Ca 0.50 -0.28 0.10 0.00 -0.55 0.00 0.00 56.30 56.07 1rjj h ASN 29 Cb 1.78 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 39.86 1rjj h ASN 29 CO -0.07 0.81 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.15 1rjj h LEU 30 N 0.57 -1.00 -1.93 1.61 -0.00 0.39 0.98 115.31 115.93 1rjj h LEU 30 Ca 0.13 0.20 0.29 0.00 -0.00 0.00 0.00 57.88 58.50 1rjj h LEU 30 Cb 0.42 0.50 -0.05 0.00 -0.00 0.00 0.00 40.66 41.54 1rjj h LEU 30 CO 0.01 -0.29 0.72 0.58 -0.00 0.00 0.00 178.44 179.47 1rjj h VAL 31 N -0.17 0.50 -0.72 1.22 2.07 -1.17 0.42 116.25 118.41 1rjj h VAL 31 Ca 0.22 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.87 1rjj h VAL 31 Cb 0.52 0.45 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1rjj h VAL 31 CO -0.61 0.01 -0.21 -1.28 0.02 0.00 0.00 177.57 175.49 1rjj h SER 32 N 0.05 -0.78 0.74 0.57 0.87 0.11 0.65 113.55 115.76 1rjj h SER 32 Ca 0.49 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1rjj h SER 32 Cb 1.89 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 64.33 1rjj h SER 32 CO -0.04 -0.26 -0.16 0.00 -0.53 0.00 0.00 176.83 175.85 1rjj n GLN 33 N -5.48 0.12 -0.70 2.24 -0.00 0.12 -3.79 117.38 109.89 1rjj n GLN 33 Ca 0.09 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.00 56.94 1rjj n GLN 33 Cb 0.38 -1.50 0.12 0.00 -0.00 0.00 0.00 30.24 29.24 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1rjj n ILE 34 N -1.41 2.21 0.00 -0.39 5.41 0.23 -4.16 119.36 121.24 1rjj n ILE 34 Ca 0.08 -1.09 0.00 0.00 1.00 0.00 0.00 62.75 62.74 1rjj n ILE 34 Cb 0.32 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 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 -0.36 0.00 0.00 4.38 2.03 -1.19 0.27 116.55 121.67 1rjj n ASP 35 Ca 0.33 0.46 0.05 0.00 0.52 0.00 0.00 54.79 56.15 1rjj n ASP 35 Cb 1.14 -0.46 0.26 0.00 -0.72 0.00 0.00 41.12 41.35 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 -1.46 0.96 -2.72 5.18 5.66 -1.26 -4.79 114.28 115.85 1rjj n THR 36 Ca 0.00 0.24 -0.13 0.00 -3.05 0.00 0.00 64.05 61.11 1rjj n THR 36 Cb 0.01 -1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 67.72 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 -1.39 0.00 -2.43 1.08 0.24 0.14 -4.68 118.33 111.30 1rjj n VAL 37 Ca 0.04 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.11 1rjj n VAL 37 Cb 0.11 -0.15 0.01 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.40 3.14 -3.81 7.34 5.02 -1.26 -5.03 118.16 121.16 1rjj n LYS 38 Ca 0.04 -4.27 0.01 0.00 -2.02 0.00 0.00 58.31 52.07 1rjj n LYS 38 Cb 0.36 -2.11 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 1rjj n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rjj s SER 39 N -3.51 -0.03 0.09 4.39 0.15 -1.26 -0.62 113.70 112.91 1rjj s SER 39 Ca 0.45 -0.26 -0.10 0.00 0.70 0.00 0.00 55.95 56.74 1rjj s SER 39 Cb 0.41 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.95 1rjj s SER 39 CO -0.12 -0.44 0.23 -0.36 1.20 0.00 0.00 173.24 173.76 1rjj s PHE 40 N -2.28 0.07 -0.21 3.44 0.08 0.62 -4.95 117.98 114.74 1rjj s PHE 40 Ca 0.21 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1rjj s PHE 40 Cb 0.01 0.00 0.10 0.00 -0.57 0.00 0.00 43.02 42.57 1rjj s PHE 40 CO -0.01 -0.55 0.41 -1.21 -0.10 0.00 0.00 175.22 173.76 1rjj s GLU 41 N -3.61 0.33 0.37 0.44 2.02 -1.25 -1.41 118.70 115.60 1rjj s GLU 41 Ca 0.03 0.91 0.08 0.00 0.02 0.00 0.00 54.97 56.00 1rjj s GLU 41 Cb 0.03 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 1rjj s GLU 41 CO -0.10 -0.36 0.35 -0.46 0.02 0.00 0.00 175.26 174.71 1rjj s TRP 42 N 2.60 2.84 0.11 1.61 -0.11 -1.14 -4.91 118.94 119.93 1rjj s TRP 42 Ca 0.03 -0.37 0.08 0.00 1.22 0.00 0.00 56.10 57.06 1rjj s TRP 42 Cb -0.13 -1.98 -0.04 0.00 -1.50 0.00 0.00 33.47 29.83 1rjj s TRP 42 CO -0.14 0.03 -0.21 0.20 -4.62 0.00 0.00 176.95 172.21 1rjj s GLY 43 N -4.08 1.26 -0.11 5.86 0.00 -1.26 -3.08 107.32 105.91 1rjj s GLY 43 Ca 0.45 -1.27 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 1rjj s GLY 43 CO 0.28 -1.27 0.42 -0.54 0.00 0.00 0.00 173.10 171.99 1rjj s GLU 44 N -1.96 0.61 -0.32 2.90 2.02 -1.08 -4.99 118.70 115.88 1rjj s GLU 44 Ca 0.07 0.34 -0.05 0.00 0.02 0.00 0.00 54.97 55.35 1rjj s GLU 44 Cb -0.10 0.29 0.19 0.00 0.10 0.00 0.00 34.13 34.61 1rjj s GLU 44 CO 0.04 -0.12 0.91 0.34 0.02 0.00 0.00 175.26 176.45 1rjj s ASP 45 N -0.35 -0.77 0.47 -0.19 2.15 -1.25 -1.03 116.67 115.70 1rjj s ASP 45 Ca -0.05 -0.10 -0.11 0.00 0.43 0.00 0.00 52.55 52.73 1rjj s ASP 45 Cb -0.03 1.28 -0.06 0.00 -0.30 0.00 0.00 42.92 43.81 1rjj s ASP 45 CO 0.03 -0.12 0.85 -1.59 -0.17 0.00 0.00 175.17 174.17 1rjj s LYS 46 N 2.52 3.74 -0.49 4.34 0.00 -1.17 -4.97 119.74 123.70 1rjj s LYS 46 Ca 0.19 0.55 0.07 0.00 0.00 0.00 0.00 55.97 56.78 1rjj s LYS 46 Cb -0.02 -2.29 0.19 0.00 0.00 0.00 0.00 37.83 35.70 1rjj s LYS 46 CO -0.19 -0.19 0.69 -1.21 0.00 0.00 0.00 175.35 174.44 1rjj s GLU 47 N -4.27 1.01 0.00 1.78 2.02 -1.26 -4.85 118.70 113.13 1rjj s GLU 47 Ca 0.52 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1rjj s GLU 47 Cb -0.10 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1rjj s GLU 47 CO 0.37 -1.30 0.00 0.45 0.02 0.00 0.00 175.26 174.80 1rjj n SER 48 N 3.26 0.00 -2.32 -0.19 2.88 -1.26 -5.12 113.62 110.87 1rjj n SER 48 Ca 0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1rjj n SER 48 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1rjj n SER 48 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1rjj n HIS 49 N -0.96 -4.15 -0.28 0.66 8.25 -1.26 -3.80 115.22 113.68 1rjj n HIS 49 Ca 0.00 2.45 0.09 0.00 -0.26 0.00 0.00 57.72 59.99 1rjj n HIS 49 Cb 0.00 -3.65 0.24 0.00 1.12 0.00 0.00 29.99 27.70 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 3.70 0.30 -0.55 0.41 3.32 -2.00 0.56 116.42 122.15 1rjj h ASP 50 Ca -0.24 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1rjj h ASP 50 Cb 0.54 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1rjj h ASP 50 CO 0.00 0.06 0.36 -0.03 -1.72 0.00 0.00 179.24 177.91 1rjj h MET 51 N 0.43 0.74 -0.00 3.56 4.05 -2.04 -0.13 114.93 121.54 1rjj h MET 51 Ca 0.48 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1rjj h MET 51 Cb 0.82 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1rjj h MET 51 CO -0.47 0.50 -0.42 1.28 0.23 0.00 0.00 176.91 178.04 1rjj n LEU 52 N -4.44 0.47 -1.57 3.39 4.77 0.28 -4.12 117.00 115.77 1rjj n LEU 52 Ca 0.05 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1rjj n LEU 52 Cb 0.05 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1rjj n LEU 52 CO 0.36 0.11 0.97 -1.14 -1.33 0.00 0.00 177.39 176.36 1rjj n ARG 53 N -1.44 1.38 0.02 3.23 0.63 0.17 -4.61 116.66 116.03 1rjj n ARG 53 Ca 0.06 -0.78 0.00 0.00 -0.92 0.00 0.00 57.85 56.21 1rjj n ARG 53 Cb 0.34 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 31.94 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1rjj n GLN 54 N 0.64 0.00 0.00 -0.14 1.13 -1.25 -4.56 117.38 113.19 1rjj n GLN 54 Ca 0.15 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1rjj n GLN 54 Cb 0.62 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.67 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 -0.68 3.10 3.52 1.08 0.00 -1.26 -5.01 105.19 105.94 1rjj n GLY 55 Ca 0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 1.18 0.00 1.61 3.72 -1.26 -4.84 117.46 117.86 1rjj n PHE 56 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1rjj n PHE 56 Cb 0.00 -2.54 0.00 0.00 -0.94 0.00 0.00 39.48 36.00 1rjj n PHE 56 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1rjj n THR 57 N 7.74 0.00 -4.37 4.37 -2.24 -1.14 -4.47 114.28 114.17 1rjj n THR 57 Ca 0.47 0.91 -0.26 0.00 -2.27 0.00 0.00 64.05 62.90 1rjj n THR 57 Cb 0.34 -1.83 -0.12 0.00 -2.10 0.00 0.00 70.33 66.62 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 -0.81 2.11 0.20 4.78 0.00 -1.18 -3.07 115.29 117.31 1rjj s HIS 58 Ca 0.00 -0.40 -0.06 0.00 -3.00 0.00 0.00 55.06 51.61 1rjj s HIS 58 Cb 0.00 -1.09 -0.02 0.00 -4.00 0.00 0.00 32.58 27.46 1rjj s HIS 58 CO 0.00 0.36 0.25 0.00 -1.00 0.00 0.00 174.74 174.35 1rjj s ALA 59 N -1.47 0.55 -0.02 -1.38 0.00 -0.20 -2.33 121.76 116.91 1rjj s ALA 59 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1rjj s ALA 59 Cb -0.09 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.21 1rjj s ALA 59 CO 0.07 -0.66 -0.00 -0.06 0.00 0.00 0.00 175.76 175.10 1rjj s PHE 60 N -4.08 0.23 -0.65 0.00 0.08 -0.86 -2.64 117.98 110.07 1rjj s PHE 60 Ca 0.29 0.01 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1rjj s PHE 60 Cb 0.04 -0.28 0.16 0.00 -0.57 0.00 0.00 43.02 42.37 1rjj s PHE 60 CO 0.08 -0.08 0.59 -1.12 -0.10 0.00 0.00 175.22 174.60 1rjj s SER 61 N 0.65 6.38 -0.26 1.36 0.01 -1.18 -2.36 113.70 118.30 1rjj s SER 61 Ca -0.06 -2.15 -0.14 0.00 1.31 0.00 0.00 55.95 54.90 1rjj s SER 61 Cb -0.09 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1rjj s SER 61 CO -0.01 -0.74 0.34 -0.04 0.41 0.00 0.00 173.24 173.20 1rjj s MET 62 N 1.02 4.04 0.08 12.44 -1.94 0.28 -2.89 119.30 132.33 1rjj s MET 62 Ca 0.09 -0.00 0.08 0.00 -1.71 0.00 0.00 55.69 54.15 1rjj s MET 62 Cb -0.22 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 32.96 1rjj s MET 62 CO -0.02 -0.20 -0.21 0.99 -0.01 0.00 0.00 175.02 175.58 1rjj s THR 63 N 1.82 1.71 0.17 2.05 2.01 -0.50 0.28 115.64 123.18 1rjj s THR 63 Ca 0.14 -1.42 0.08 0.00 0.31 0.00 0.00 61.69 60.80 1rjj s THR 63 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1rjj s THR 63 CO 0.09 0.05 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.53 1rjj s PHE 64 N -1.02 1.77 0.01 4.92 0.08 0.63 -0.28 117.98 124.09 1rjj s PHE 64 Ca 0.07 -0.49 0.13 0.00 0.12 0.00 0.00 56.93 56.76 1rjj s PHE 64 Cb -0.10 -0.88 0.11 0.00 -0.57 0.00 0.00 43.02 41.59 1rjj s PHE 64 CO 0.03 0.32 1.46 1.49 -0.10 0.00 0.00 175.22 178.42 1rjj h GLU 65 N 3.16 0.00 -2.65 0.44 4.57 -1.18 0.22 114.58 119.14 1rjj h GLU 65 Ca -0.41 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.89 1rjj h GLU 65 Cb 1.21 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 1rjj h GLU 65 CO 0.53 0.63 0.38 -0.80 -1.18 0.00 0.00 179.01 178.56 1rjj s ASN 66 N -6.55 -0.19 0.64 1.04 0.01 -1.26 -4.60 114.94 104.03 1rjj s ASN 66 Ca 0.02 -0.55 0.39 0.00 -0.71 0.00 0.00 52.86 52.01 1rjj s ASN 66 Cb 0.09 0.61 2.19 0.00 0.41 0.00 0.00 41.25 44.55 1rjj s ASN 66 CO 0.76 -1.14 2.33 0.11 -1.51 0.00 0.00 177.10 177.65 1rjj h LYS 67 N 2.00 0.00 -0.92 -0.60 1.57 -1.99 -2.69 116.57 113.95 1rjj h LYS 67 Ca -0.23 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1rjj h LYS 67 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 1rjj h LYS 67 CO 0.26 0.00 0.60 0.22 -0.57 0.00 0.00 179.45 179.96 1rjj h ASP 68 N 0.00 1.00 0.26 0.86 3.58 -1.98 -0.61 116.42 119.53 1rjj h ASP 68 Ca 0.00 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1rjj h ASP 68 Cb 0.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1rjj h ASP 68 CO -0.00 0.69 -0.45 1.23 -2.88 0.00 0.00 179.24 177.82 1rjj h GLY 69 N 1.16 0.26 0.91 -0.78 0.00 -1.80 -2.32 103.07 100.50 1rjj h GLY 69 Ca 0.37 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1rjj h GLY 69 CO -0.11 0.23 -0.03 -1.82 0.00 0.00 0.00 176.54 174.82 1rjj h TYR 70 N 0.19 0.68 0.00 5.60 3.20 -1.24 -1.77 116.97 123.63 1rjj h TYR 70 Ca 0.01 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 1rjj h TYR 70 Cb 0.88 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1rjj h TYR 70 CO 0.02 0.75 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.41 1rjj h VAL 71 N 0.41 1.24 0.69 1.81 -1.51 -1.24 -2.94 116.25 114.71 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 0.49 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1rjj h VAL 71 CO 0.02 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 -0.97 5.19 0.00 -1.12 0.45 119.26 123.32 1rjj h ALA 72 Ca -0.00 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.87 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 0.97 0.03 0.00 3.57 -1.36 -1.72 116.94 117.26 1rjj h PHE 73 Ca -0.10 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.18 1rjj h PHE 73 Cb 0.71 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1rjj h PHE 73 CO 0.02 0.29 -1.35 0.00 -2.23 0.00 0.00 178.31 175.04 1rjj h THR 74 N 0.76 1.31 -0.16 4.41 1.03 -1.47 -3.33 112.91 115.46 1rjj h THR 74 Ca 0.52 -3.05 -0.09 0.00 -0.01 0.00 0.00 66.41 63.78 1rjj h THR 74 Cb 0.80 2.70 -0.01 0.00 -1.07 0.00 0.00 68.15 70.57 1rjj h THR 74 CO -0.29 0.79 -0.30 0.28 -0.01 0.00 0.00 175.52 175.99 1rjj h SER 75 N 0.02 0.32 -3.17 0.00 0.02 0.75 -3.43 113.55 108.06 1rjj h SER 75 Ca -0.15 -0.11 -0.54 0.00 -0.84 0.00 0.00 61.79 60.15 1rjj h SER 75 Cb 1.91 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.35 1rjj h SER 75 CO 0.12 0.61 0.60 -1.00 -1.14 0.00 0.00 176.83 176.02 1rjj s HIS 76 N -4.37 3.36 -0.23 3.45 3.76 -0.79 -4.84 115.29 115.63 1rjj s HIS 76 Ca -0.05 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1rjj s HIS 76 Cb 0.14 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.44 1rjj s HIS 76 CO 0.77 -1.15 0.47 -2.30 -0.85 0.00 0.00 174.74 171.68 1rjj n PRO 77 N 4.45 0.00 0.22 8.40 -0.02 -1.26 -1.57 135.00 145.22 1rjj n PRO 77 Ca 0.09 0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 1rjj n PRO 77 Cb 0.47 -1.81 0.48 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.14 2.45 5.85 -1.88 -2.88 115.31 118.99 1rjj h LEU 78 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1rjj h LEU 78 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1rjj h LEU 78 CO 0.00 0.23 -1.59 -0.74 -0.34 0.00 0.00 178.44 176.00 1rjj h HIS 79 N 0.00 0.56 0.79 1.25 2.76 -1.45 -2.85 115.15 116.21 1rjj h HIS 79 Ca -0.00 -0.41 -0.04 0.00 -2.20 0.00 0.00 60.37 57.72 1rjj h HIS 79 Cb 0.42 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.36 1rjj h HIS 79 CO 0.00 1.47 -0.38 0.28 -1.30 0.00 0.00 177.93 178.00 1rjj h VAL 80 N 0.08 0.00 -0.93 5.26 2.07 -1.72 1.66 116.25 122.68 1rjj h VAL 80 Ca -0.27 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1rjj h VAL 80 Cb 2.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1rjj h VAL 80 CO 0.17 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 178.05 1rjj h GLU 81 N -1.13 1.20 -0.21 1.57 5.08 -1.69 -0.90 114.58 118.50 1rjj h GLU 81 Ca -0.11 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1rjj h GLU 81 Cb 0.81 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1rjj h GLU 81 CO 0.18 0.80 -0.17 0.35 -1.00 0.00 0.00 179.01 179.17 1rjj h PHE 82 N 1.24 0.57 -0.43 4.33 3.57 -1.36 -3.02 116.94 121.84 1rjj h PHE 82 Ca 0.34 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1rjj h PHE 82 Cb -0.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1rjj h PHE 82 CO -0.00 0.81 0.15 1.03 -2.23 0.00 0.00 178.31 178.07 1rjj h SER 83 N 0.17 0.56 0.22 0.41 0.87 0.29 0.86 113.55 116.93 1rjj h SER 83 Ca 0.04 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1rjj h SER 83 Cb 0.70 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1rjj h SER 83 CO 0.04 0.53 -0.11 0.00 -0.53 0.00 0.00 176.83 176.77 1rjj h ALA 84 N 1.55 -0.29 -0.25 6.23 0.00 -1.10 -2.21 119.26 123.18 1rjj h ALA 84 Ca 0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1rjj h ALA 84 Cb 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rjj h ALA 84 CO -0.01 -0.64 -0.39 0.00 0.00 0.00 0.00 179.25 178.21 1rjj h ALA 85 N 0.43 0.39 -1.30 0.00 0.00 -1.36 -2.51 119.26 114.92 1rjj h ALA 85 Ca -0.03 -0.45 0.38 0.00 0.00 0.00 0.00 54.91 54.81 1rjj h ALA 85 Cb 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1rjj h ALA 85 CO 0.05 0.48 1.00 0.35 0.00 0.00 0.00 179.25 181.13 1rjj h PHE 86 N 0.44 0.00 0.00 0.00 3.57 0.95 0.17 116.94 122.07 1rjj h PHE 86 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1rjj h PHE 86 Cb 0.99 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1rjj h PHE 86 CO 0.08 0.00 -0.08 1.15 -2.23 0.00 0.00 178.31 177.23 1rjj h THR 87 N 0.00 0.00 -1.68 4.41 2.02 -0.98 -3.00 112.91 113.67 1rjj h THR 87 Ca 0.62 -0.65 0.52 0.00 0.77 0.00 0.00 66.41 67.66 1rjj h THR 87 Cb 2.61 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.92 1rjj h THR 87 CO -0.01 0.00 1.17 0.00 0.37 0.00 0.00 175.52 177.06 1rjj n ALA 88 N -2.66 1.63 -0.41 6.16 0.00 -0.27 0.34 120.51 125.30 1rjj n ALA 88 Ca -0.01 0.71 0.10 0.00 0.00 0.00 0.00 53.44 54.24 1rjj n ALA 88 Cb 0.04 -1.07 0.33 0.00 0.00 0.00 0.00 19.45 18.76 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 -4.15 1.45 -4.40 0.00 0.24 0.45 -4.91 118.33 107.01 1rjj n VAL 89 Ca 0.41 -1.06 -0.23 0.00 -2.04 0.00 0.00 64.34 61.42 1rjj n VAL 89 Cb 1.78 0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 34.28 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 -1.55 2.16 -0.20 1.34 1.09 1.03 -4.43 121.20 120.64 1rjj s ILE 90 Ca 0.49 -2.13 0.06 0.00 -1.10 0.00 0.00 60.65 57.97 1rjj s ILE 90 Cb 0.29 -2.08 -0.16 0.00 -1.06 0.00 0.00 42.46 39.44 1rjj s ILE 90 CO 0.27 -0.32 -0.10 -0.67 -0.10 0.00 0.00 174.94 174.02 1rjj n ASP 91 N -0.07 1.81 -3.80 3.58 2.03 0.35 -4.69 116.55 115.76 1rjj n ASP 91 Ca -0.10 -0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 1rjj n ASP 91 Cb 0.58 0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 41.00 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1rjj s LYS 92 N -2.42 0.52 -0.18 -0.67 -2.85 -1.20 -4.95 119.74 107.99 1rjj s LYS 92 Ca -0.21 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.66 1rjj s LYS 92 Cb 0.06 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1rjj s LYS 92 CO 0.56 -0.12 -0.14 -1.50 0.10 0.00 0.00 175.35 174.25 1rjj s ILE 93 N -0.96 1.71 -0.13 3.79 1.10 -1.26 -3.39 121.20 122.06 1rjj s ILE 93 Ca -0.10 -0.86 0.02 0.00 -0.51 0.00 0.00 60.65 59.20 1rjj s ILE 93 Cb -0.05 -1.66 0.00 0.00 0.15 0.00 0.00 42.46 40.90 1rjj s ILE 93 CO 0.02 0.35 -0.21 -0.69 -2.11 0.00 0.00 174.94 172.31 1rjj s VAL 94 N 1.40 2.26 -0.05 4.00 1.01 -0.43 -4.98 120.40 123.63 1rjj s VAL 94 Ca 0.02 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1rjj s VAL 94 Cb -0.14 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1rjj s VAL 94 CO -0.10 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.73 1rjj s LEU 95 N 0.62 1.34 -0.21 3.92 1.02 -1.26 0.45 118.68 124.57 1rjj s LEU 95 Ca -0.11 -0.15 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 1rjj s LEU 95 Cb -0.16 -0.49 0.01 0.00 0.02 0.00 0.00 46.19 45.56 1rjj s LEU 95 CO 0.03 -0.05 -0.11 -0.76 0.02 0.00 0.00 176.35 175.48 1rjj s LEU 96 N 0.93 2.62 -0.07 1.79 1.02 -0.41 -4.95 118.68 119.61 1rjj s LEU 96 Ca -0.11 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.52 1rjj s LEU 96 Cb -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.45 1rjj s LEU 96 CO 0.00 -0.03 -0.17 -0.62 0.02 0.00 0.00 176.35 175.55 1rjj s ASP 97 N 1.38 2.31 -0.29 2.29 -1.08 -1.26 -2.03 116.67 118.00 1rjj s ASP 97 Ca 0.05 -0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 51.47 1rjj s ASP 97 Cb -0.14 -0.93 0.14 0.00 -1.46 0.00 0.00 42.92 40.52 1rjj s ASP 97 CO -0.07 0.11 1.03 0.12 0.52 0.00 0.00 175.17 176.88 1rjj s PHE 98 N 0.36 -0.49 -0.46 -5.34 2.19 -0.85 -4.99 117.98 108.40 1rjj s PHE 98 Ca -0.12 1.09 -0.46 0.00 0.33 0.00 0.00 56.93 57.77 1rjj s PHE 98 Cb -0.15 0.36 -0.19 0.00 -1.31 0.00 0.00 43.02 41.73 1rjj s PHE 98 CO 0.05 -0.24 1.61 -2.30 1.83 0.00 0.00 175.22 176.17 1rjj n PRO 99 N 2.87 0.18 -4.70 10.12 -0.02 -1.26 -3.11 135.00 139.07 1rjj n PRO 99 Ca -0.15 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 1rjj n PRO 99 Cb 0.57 -1.59 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 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 3.02 3.07 -0.78 -1.45 0.11 -0.90 -3.89 120.40 119.58 1rjj s VAL 100 Ca 1.04 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1rjj s VAL 100 Cb -1.43 -2.27 0.28 0.00 -1.53 0.00 0.00 36.38 31.43 1rjj s VAL 100 CO 0.79 0.44 1.06 0.00 -3.33 0.00 0.00 175.10 174.06 1rjj n ALA 101 N 1.81 4.62 -1.54 1.54 0.00 -1.26 -2.44 120.51 123.24 1rjj n ALA 101 Ca -0.16 -4.76 -0.33 0.00 0.00 0.00 0.00 53.44 48.19 1rjj n ALA 101 Cb 0.52 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 0.74 0.65 -3.73 0.00 0.00 -1.26 -4.50 120.51 112.40 1rjj n ALA 102 Ca 0.30 -0.91 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1rjj n ALA 102 Cb 0.37 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.64 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 11.71 -0.08 -0.09 0.00 -7.23 -1.26 -4.88 120.40 118.57 1rjj s VAL 103 Ca 1.05 0.19 0.06 0.00 -1.81 0.00 0.00 61.98 61.47 1rjj s VAL 103 Cb -0.36 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 1rjj s VAL 103 CO 0.28 0.08 0.00 0.29 -0.31 0.00 0.00 175.10 175.44 1rjj n LYS 104 N 4.38 2.11 0.00 4.82 4.01 -1.26 -4.96 118.16 127.25 1rjj n LYS 104 Ca -0.23 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 1rjj n LYS 104 Cb 0.52 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 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 -2.42 0.00 -0.56 4.39 7.64 -1.26 -4.75 113.62 116.66 1rjj n SER 105 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1rjj n SER 105 Cb 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1rjj n SER 105 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rjj n SER 106 N 0.56 -3.15 -3.53 6.43 3.41 -1.26 -4.89 113.62 111.19 1rjj n SER 106 Ca 0.00 0.63 -0.20 0.00 -0.26 0.00 0.00 58.87 59.05 1rjj n SER 106 Cb 0.00 -1.16 0.02 0.00 -0.26 0.00 0.00 64.21 62.80 1rjj n SER 106 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1rjj n VAL 107 N -1.74 -6.31 -3.66 -3.33 0.31 -1.26 -4.99 118.33 97.35 1rjj n VAL 107 Ca 0.00 -0.42 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 1rjj n VAL 107 Cb 0.14 -4.64 -0.07 0.00 -0.91 0.00 0.00 33.84 28.36 1rjj n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rjj s VAL 108 N -3.16 0.04 -0.01 2.52 0.11 -1.26 -5.16 120.40 113.48 1rjj s VAL 108 Ca 0.17 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1rjj s VAL 108 Cb -0.06 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1rjj s VAL 108 CO 0.84 -0.20 -0.04 0.00 -3.33 0.00 0.00 175.10 172.37 1rjj s ALA 109 N -1.81 0.41 -0.48 1.54 0.00 -1.26 -5.08 121.76 115.07 1rjj s ALA 109 Ca -0.09 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1rjj s ALA 109 Cb -0.02 -0.16 0.24 0.00 0.00 0.00 0.00 23.12 23.18 1rjj s ALA 109 CO 0.03 0.07 0.57 2.41 0.00 0.00 0.00 175.76 178.83 1rjj n THR 110 N 3.22 0.30 0.00 0.00 -1.04 -1.26 -5.26 114.28 110.24 1rjj n THR 110 Ca -0.16 -4.36 0.00 0.00 -2.04 0.00 0.00 64.05 57.49 1rjj n THR 110 Cb 0.57 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1rjj n THR 110 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78