#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 6.58 0.83 3.04 0.00 -1.26 -4.25 120.51 125.45 1rjj n ALA 2 Ca 0.00 -3.21 0.08 0.00 0.00 0.00 0.00 53.44 50.31 1rjj n ALA 2 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 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 1.33 0.00 0.00 0.00 5.66 -1.26 -4.93 114.28 115.08 1rjj n THR 3 Ca 0.53 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.44 1rjj n THR 3 Cb 0.50 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 1rjj n THR 3 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1rjj n SER 4 N -1.38 0.00 0.00 1.09 2.88 -1.26 -4.94 113.62 110.01 1rjj n SER 4 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1rjj n SER 4 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1rjj n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rjj n GLY 5 N -0.10 5.15 2.99 0.46 0.00 -1.15 -4.68 105.19 107.84 1rjj n GLY 5 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.91 -0.04 -0.02 1.61 0.40 -0.93 -3.25 117.98 114.84 1rjj s PHE 6 Ca 0.00 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.49 1rjj s PHE 6 Cb 0.00 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.50 1rjj s PHE 6 CO 0.00 -0.09 -0.15 0.21 0.70 0.00 0.00 175.22 175.89 1rjj s LYS 7 N -0.30 2.38 -0.08 0.44 2.36 -1.22 -0.84 119.74 122.47 1rjj s LYS 7 Ca -0.04 -0.78 0.02 0.00 -2.55 0.00 0.00 55.97 52.63 1rjj s LYS 7 Cb -0.03 -2.33 0.01 0.00 -1.05 0.00 0.00 37.83 34.43 1rjj s LYS 7 CO 0.00 0.60 -0.15 -1.01 1.55 0.00 0.00 175.35 176.34 1rjj s HIS 8 N -0.81 1.72 0.01 4.03 3.76 0.19 -2.79 115.29 121.40 1rjj s HIS 8 Ca 0.13 -0.69 0.02 0.00 -0.15 0.00 0.00 55.06 54.37 1rjj s HIS 8 Cb -0.11 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.34 1rjj s HIS 8 CO 0.03 -0.34 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.34 1rjj s LEU 9 N 0.69 2.08 -0.01 0.89 0.20 -0.83 0.29 118.68 121.99 1rjj s LEU 9 Ca -0.13 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.49 1rjj s LEU 9 Cb -0.16 -0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1rjj s LEU 9 CO 0.03 0.00 -0.11 0.54 -0.29 0.00 0.00 176.35 176.52 1rjj s VAL 10 N -0.48 0.91 -0.15 1.68 0.11 -0.76 -1.27 120.40 120.45 1rjj s VAL 10 Ca -0.01 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1rjj s VAL 10 Cb -0.04 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1rjj s VAL 10 CO 0.00 0.26 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.20 1rjj s VAL 11 N -0.22 2.88 0.02 2.04 1.01 -0.49 -2.33 120.40 123.31 1rjj s VAL 11 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1rjj s VAL 11 Cb -0.05 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1rjj s VAL 11 CO -0.00 0.51 -0.09 0.68 0.00 0.00 0.00 175.10 176.20 1rjj s VAL 12 N 0.63 0.67 0.11 2.92 -7.23 -0.98 -2.72 120.40 113.79 1rjj s VAL 12 Ca -0.08 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1rjj s VAL 12 Cb -0.16 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1rjj s VAL 12 CO 0.03 -0.03 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.97 1rjj s LYS 13 N -0.79 2.25 0.04 4.82 2.47 -1.23 -3.54 119.74 123.76 1rjj s LYS 13 Ca -0.01 -0.99 0.02 0.00 -1.56 0.00 0.00 55.97 53.43 1rjj s LYS 13 Cb -0.06 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.91 1rjj s LYS 13 CO 0.00 0.51 0.03 -0.59 0.16 0.00 0.00 175.35 175.46 1rjj s PHE 14 N -1.30 3.11 0.00 4.03 -0.12 -1.26 0.16 117.98 122.61 1rjj s PHE 14 Ca 0.23 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1rjj s PHE 14 Cb -0.11 -1.63 0.00 0.00 -0.63 0.00 0.00 43.02 40.65 1rjj s PHE 14 CO 0.15 0.49 0.00 0.36 -0.05 0.00 0.00 175.22 176.18 1rjj n LYS 15 N 0.92 2.49 -0.08 1.99 2.85 -1.26 -4.78 118.16 120.29 1rjj n LYS 15 Ca -0.12 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 1rjj n LYS 15 Cb 0.52 -0.93 -0.04 0.00 -0.65 0.00 0.00 35.03 33.93 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 -1.90 -3.49 114.58 112.42 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 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1rjj h GLU 16 CO 0.00 0.31 0.00 -0.40 -0.73 0.00 0.00 179.01 178.19 1rjj n ASP 17 N -4.59 0.00 -4.52 1.04 5.68 -1.26 -5.09 116.55 107.80 1rjj n ASP 17 Ca -0.13 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.72 1rjj n ASP 17 Cb 0.35 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 1rjj n ASP 17 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1rjj n THR 18 N 0.00 0.16 -2.26 2.12 -1.04 -1.26 -4.84 114.28 107.15 1rjj n THR 18 Ca 0.00 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 1rjj n THR 18 Cb 0.00 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.34 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 6.97 3.00 0.24 -2.82 0.00 -1.26 -4.78 119.74 121.09 1rjj s LYS 19 Ca 1.06 -0.76 -0.07 0.00 0.00 0.00 0.00 55.97 56.20 1rjj s LYS 19 Cb -0.56 -5.21 0.25 0.00 0.00 0.00 0.00 37.83 32.30 1rjj s LYS 19 CO 0.39 -2.96 1.90 -0.39 0.00 0.00 0.00 175.35 174.30 1rjj h VAL 20 N 6.91 1.21 -0.54 1.79 -1.51 -1.97 0.30 116.25 122.43 1rjj h VAL 20 Ca 0.16 -0.42 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1rjj h VAL 20 Cb 0.99 -0.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1rjj h VAL 20 CO 1.30 0.22 0.32 0.44 -1.23 0.00 0.00 177.57 178.63 1rjj h ASP 21 N 1.21 0.66 -0.02 4.19 3.32 -1.96 5.17 116.42 128.99 1rjj h ASP 21 Ca 0.35 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 1rjj h ASP 21 Cb -0.09 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.30 1rjj h ASP 21 CO -0.09 0.53 -0.88 -0.33 -1.72 0.00 0.00 179.24 176.75 1rjj h GLU 22 N 0.73 0.70 0.05 3.56 4.39 -1.87 0.28 114.58 122.43 1rjj h GLU 22 Ca 0.19 -0.64 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 1rjj h GLU 22 Cb -0.00 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1rjj h GLU 22 CO -0.04 1.24 -0.03 0.82 -1.16 0.00 0.00 179.01 179.85 1rjj h ILE 23 N 0.44 1.13 -0.79 3.13 1.08 0.02 -1.30 117.51 121.22 1rjj h ILE 23 Ca -0.08 -0.62 0.07 0.00 -0.39 0.00 0.00 64.86 63.84 1rjj h ILE 23 Cb 1.51 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 36.74 1rjj h ILE 23 CO 0.17 0.16 0.47 0.25 -0.69 0.00 0.00 178.15 178.51 1rjj h LEU 24 N -0.35 0.71 -2.48 1.44 7.12 1.04 0.79 115.31 123.58 1rjj h LEU 24 Ca -0.01 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1rjj h LEU 24 Cb 0.31 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1rjj h LEU 24 CO 0.01 0.44 -0.00 0.50 -0.13 0.00 0.00 178.44 179.26 1rjj h LYS 25 N 0.83 0.00 0.27 1.25 3.64 -0.06 -1.46 116.57 121.05 1rjj h LYS 25 Ca 0.36 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1rjj h LYS 25 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1rjj h LYS 25 CO -0.20 0.00 -0.13 0.78 -2.27 0.00 0.00 179.45 177.64 1rjj h GLY 26 N 0.02 -0.37 -0.66 5.01 0.00 0.17 -2.91 103.07 104.33 1rjj h GLY 26 Ca -0.00 0.14 0.35 0.00 0.00 0.00 0.00 47.33 47.82 1rjj h GLY 26 CO 0.00 -0.14 0.66 -2.00 0.00 0.00 0.00 176.54 175.07 1rjj h LEU 27 N -0.82 0.42 -0.89 3.11 6.46 -0.29 2.26 115.31 125.56 1rjj h LEU 27 Ca -0.04 0.16 0.14 0.00 -0.12 0.00 0.00 57.88 58.03 1rjj h LEU 27 Cb 0.51 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.47 1rjj h LEU 27 CO 0.06 -0.14 0.49 -0.33 -0.62 0.00 0.00 178.44 177.91 1rjj h GLU 28 N 0.25 0.70 -0.79 1.25 4.39 -1.26 0.69 114.58 119.80 1rjj h GLU 28 Ca 0.75 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.46 1rjj h GLU 28 Cb 1.94 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.38 1rjj h GLU 28 CO -0.52 0.46 0.49 -2.95 -1.16 0.00 0.00 179.01 175.33 1rjj h ASN 29 N 0.72 0.77 -0.68 1.42 7.08 0.38 -0.38 115.58 124.88 1rjj h ASN 29 Ca 0.47 0.02 0.14 0.00 -3.08 0.00 0.00 56.30 53.85 1rjj h ASN 29 Cb 0.62 -0.15 -0.10 0.00 -2.08 0.00 0.00 38.32 36.61 1rjj h ASN 29 CO -0.33 0.50 0.15 0.25 -2.08 0.00 0.00 177.43 175.91 1rjj h LEU 30 N 0.90 -0.01 -1.64 6.14 7.12 0.76 0.95 115.31 129.53 1rjj h LEU 30 Ca 0.34 0.13 0.15 0.00 0.13 0.00 0.00 57.88 58.63 1rjj h LEU 30 Cb 0.14 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 1rjj h LEU 30 CO -0.16 -0.02 0.67 0.58 -0.13 0.00 0.00 178.44 179.37 1rjj h VAL 31 N 0.26 0.21 -0.95 1.05 2.07 -0.29 0.14 116.25 118.74 1rjj h VAL 31 Ca 0.37 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.19 1rjj h VAL 31 Cb 0.60 0.45 -0.16 0.00 -1.52 0.00 0.00 31.29 30.66 1rjj h VAL 31 CO -0.47 0.00 0.32 -1.28 0.02 0.00 0.00 177.57 176.16 1rjj h SER 32 N 0.00 0.07 1.42 0.57 0.87 0.97 1.58 113.55 119.02 1rjj h SER 32 Ca 0.24 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.99 1rjj h SER 32 Cb 1.57 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 1rjj h SER 32 CO -0.00 -0.25 -0.20 1.56 -0.53 0.00 0.00 176.83 177.42 1rjj h GLN 33 N 0.15 0.00 -0.99 2.24 1.08 -0.88 -3.22 115.11 113.50 1rjj h GLN 33 Ca 0.66 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 1rjj h GLN 33 Cb 1.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1rjj h GLN 33 CO -0.72 0.20 0.00 -0.89 -0.95 0.00 0.00 178.83 176.46 1rjj n ILE 34 N -3.21 0.10 0.02 2.54 5.41 0.54 -3.67 119.36 121.08 1rjj n ILE 34 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.78 1rjj n ILE 34 Cb 0.52 -0.54 0.05 0.00 -0.71 0.00 0.00 39.64 38.96 1rjj n ILE 34 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1rjj n ASP 35 N 0.06 0.05 -0.11 4.38 8.00 -1.20 0.21 116.55 127.94 1rjj n ASP 35 Ca 0.00 0.46 0.15 0.00 0.71 0.00 0.00 54.79 56.11 1rjj n ASP 35 Cb 0.27 -0.47 0.82 0.00 -0.02 0.00 0.00 41.12 41.72 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1rjj n THR 36 N -1.51 0.00 -2.62 -3.53 -2.24 -1.24 -4.86 114.28 98.28 1rjj n THR 36 Ca -0.00 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1rjj n THR 36 Cb 0.07 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.72 0.00 -2.10 2.28 0.24 0.57 -4.66 118.33 113.95 1rjj n VAL 37 Ca 0.22 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.27 1rjj n VAL 37 Cb 0.16 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.32 3.56 -3.83 7.34 5.02 -1.26 -5.02 118.16 121.66 1rjj n LYS 38 Ca 0.03 -4.22 0.02 0.00 -2.02 0.00 0.00 58.31 52.12 1rjj n LYS 38 Cb 0.36 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.10 1rjj n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1rjj s SER 39 N -3.55 -0.02 0.10 4.39 0.15 -1.26 0.25 113.70 113.76 1rjj s SER 39 Ca 0.51 -0.19 -0.13 0.00 0.70 0.00 0.00 55.95 56.84 1rjj s SER 39 Cb 0.41 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1rjj s SER 39 CO -0.01 -0.32 0.30 -0.36 1.20 0.00 0.00 173.24 174.06 1rjj s PHE 40 N -2.18 -0.04 -0.27 3.44 0.08 0.42 -4.93 117.98 114.49 1rjj s PHE 40 Ca 0.23 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.80 1rjj s PHE 40 Cb 0.02 0.11 0.08 0.00 -0.57 0.00 0.00 43.02 42.66 1rjj s PHE 40 CO -0.02 -0.62 0.67 -1.21 -0.10 0.00 0.00 175.22 173.94 1rjj s GLU 41 N -3.76 0.69 0.29 0.44 2.02 -1.26 -0.46 118.70 116.66 1rjj s GLU 41 Ca 0.03 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.22 1rjj s GLU 41 Cb 0.03 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 1rjj s GLU 41 CO -0.11 -0.15 0.11 1.67 0.02 0.00 0.00 175.26 176.80 1rjj s TRP 42 N 1.52 1.62 0.23 1.61 -2.14 -1.18 -5.01 118.94 115.58 1rjj s TRP 42 Ca -0.09 -1.21 0.01 0.00 2.66 0.00 0.00 56.10 57.47 1rjj s TRP 42 Cb -0.05 -0.95 -0.05 0.00 -3.10 0.00 0.00 33.47 29.32 1rjj s TRP 42 CO -0.18 -0.34 0.07 0.20 -2.66 0.00 0.00 176.95 174.04 1rjj s GLY 43 N -3.37 1.58 0.01 3.67 0.00 -1.26 -3.41 107.32 104.53 1rjj s GLY 43 Ca 0.36 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.05 1rjj s GLY 43 CO 0.15 -1.58 0.55 -0.54 0.00 0.00 0.00 173.10 171.68 1rjj s GLU 44 N -3.99 1.00 -0.43 2.90 2.02 -1.08 -4.98 118.70 114.14 1rjj s GLU 44 Ca 0.34 -0.06 0.07 0.00 0.02 0.00 0.00 54.97 55.34 1rjj s GLU 44 Cb 0.07 0.46 0.18 0.00 0.10 0.00 0.00 34.13 34.94 1rjj s GLU 44 CO 0.11 -0.34 0.60 0.34 0.02 0.00 0.00 175.26 175.99 1rjj s ASP 45 N -1.62 -0.94 0.61 -0.19 2.15 -1.24 -2.45 116.67 112.99 1rjj s ASP 45 Ca -0.08 -1.22 -0.02 0.00 0.43 0.00 0.00 52.55 51.66 1rjj s ASP 45 Cb -0.01 1.62 0.04 0.00 -0.30 0.00 0.00 42.92 44.27 1rjj s ASP 45 CO 0.03 -0.16 0.86 -1.59 -0.17 0.00 0.00 175.17 174.15 1rjj s LYS 46 N 1.49 2.41 0.00 4.34 0.00 -0.92 -4.96 119.74 122.10 1rjj s LYS 46 Ca 0.20 -0.59 0.03 0.00 0.00 0.00 0.00 55.97 55.61 1rjj s LYS 46 Cb -0.05 -2.37 0.05 0.00 0.00 0.00 0.00 37.83 35.46 1rjj s LYS 46 CO -0.06 -0.91 0.81 0.39 0.00 0.00 0.00 175.35 175.57 1rjj n GLU 47 N -2.56 0.00 0.00 1.78 1.02 -1.26 -4.62 120.64 115.00 1rjj n GLU 47 Ca 0.08 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1rjj n GLU 47 Cb 0.60 0.10 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 1rjj n GLU 47 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rjj n SER 48 N 0.05 0.00 -4.82 1.62 2.88 -1.26 -4.97 113.62 107.12 1rjj n SER 48 Ca -0.09 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.13 1rjj n SER 48 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.00 3.25 0.10 0.66 3.76 -1.26 -4.89 115.29 116.91 1rjj s HIS 49 Ca 0.00 1.50 -0.14 0.00 -0.15 0.00 0.00 55.06 56.27 1rjj s HIS 49 Cb 0.00 -2.89 -0.11 0.00 1.11 0.00 0.00 32.58 30.68 1rjj s HIS 49 CO 0.00 -0.64 1.36 -0.44 -0.85 0.00 0.00 174.74 174.17 1rjj h ASP 50 N 0.87 0.83 -0.58 1.40 3.32 -1.93 -0.87 116.42 119.46 1rjj h ASP 50 Ca -0.47 -0.55 -0.09 0.00 0.02 0.00 0.00 57.03 55.94 1rjj h ASP 50 Cb 1.20 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1rjj h ASP 50 CO 0.60 1.22 0.00 0.24 -1.72 0.00 0.00 179.24 179.59 1rjj h MET 51 N 0.48 1.02 0.11 3.56 2.86 -1.93 -0.41 114.93 120.62 1rjj h MET 51 Ca 0.01 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1rjj h MET 51 Cb 1.09 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1rjj h MET 51 CO 0.11 1.01 -0.05 -0.07 1.06 0.00 0.00 176.91 178.96 1rjj h LEU 52 N 0.91 -0.13 -0.86 1.22 3.38 -1.96 -3.25 115.31 114.62 1rjj h LEU 52 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rjj h LEU 52 Cb 0.55 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1rjj h LEU 52 CO 0.03 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.22 1rjj n ARG 53 N -3.60 0.39 -0.25 1.13 5.12 -0.33 -4.71 116.66 114.40 1rjj n ARG 53 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1rjj n ARG 53 Cb 0.06 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1rjj n ARG 53 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1rjj n GLN 54 N 0.20 -1.78 0.00 5.56 1.13 -0.31 -1.98 117.38 120.18 1rjj n GLN 54 Ca 0.00 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1rjj n GLN 54 Cb 0.08 -3.03 0.00 0.00 0.11 0.00 0.00 30.24 27.40 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 0.26 1.54 0.00 1.08 0.00 -0.34 -4.91 105.19 102.82 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 -1.93 0.00 0.03 1.61 3.72 -0.84 -5.03 117.46 115.03 1rjj n PHE 56 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1rjj n PHE 56 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1rjj n PHE 56 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1rjj n THR 57 N 0.00 0.00 -3.77 4.37 5.66 -1.26 -4.95 114.28 114.33 1rjj n THR 57 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1rjj n THR 57 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.00 -0.28 0.10 1.09 5.65 -1.23 -2.17 115.29 116.45 1rjj s HIS 58 Ca 0.00 0.65 -0.03 0.00 0.25 0.00 0.00 55.06 55.93 1rjj s HIS 58 Cb 0.00 0.10 -0.03 0.00 -1.18 0.00 0.00 32.58 31.47 1rjj s HIS 58 CO 0.00 -0.21 0.07 0.00 -0.65 0.00 0.00 174.74 173.95 1rjj s ALA 59 N -0.22 0.53 -0.04 1.58 0.00 -1.03 -2.32 121.76 120.26 1rjj s ALA 59 Ca -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1rjj s ALA 59 Cb -0.03 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1rjj s ALA 59 CO 0.01 -0.47 -0.06 -0.06 0.00 0.00 0.00 175.76 175.18 1rjj s PHE 60 N -3.98 0.81 -0.28 0.00 0.08 -0.98 -2.63 117.98 110.99 1rjj s PHE 60 Ca 0.16 -0.23 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 1rjj s PHE 60 Cb 0.07 -0.67 0.05 0.00 -0.57 0.00 0.00 43.02 41.90 1rjj s PHE 60 CO -0.04 -0.17 -0.04 -1.12 -0.10 0.00 0.00 175.22 173.75 1rjj s SER 61 N 0.73 4.69 -0.15 1.36 0.01 -1.22 -1.82 113.70 117.30 1rjj s SER 61 Ca -0.10 -1.28 -0.04 0.00 1.31 0.00 0.00 55.95 55.83 1rjj s SER 61 Cb -0.13 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1rjj s SER 61 CO 0.01 -0.23 -0.00 -0.04 0.41 0.00 0.00 173.24 173.39 1rjj s MET 62 N 1.21 3.59 -0.00 12.44 -1.94 0.15 -3.10 119.30 131.64 1rjj s MET 62 Ca -0.06 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 53.55 1rjj s MET 62 Cb -0.20 -2.96 -0.02 0.00 2.01 0.00 0.00 34.83 33.66 1rjj s MET 62 CO -0.03 0.36 -0.24 0.99 -0.01 0.00 0.00 175.02 176.10 1rjj s THR 63 N 0.06 2.25 0.25 2.05 2.01 0.40 0.54 115.64 123.20 1rjj s THR 63 Ca 0.02 -1.14 0.12 0.00 0.31 0.00 0.00 61.69 61.00 1rjj s THR 63 Cb -0.13 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1rjj s THR 63 CO 0.02 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.89 1rjj s PHE 64 N -0.70 2.27 0.06 4.92 0.40 -0.02 0.16 117.98 125.07 1rjj s PHE 64 Ca 0.11 -0.35 0.16 0.00 -0.60 0.00 0.00 56.93 56.25 1rjj s PHE 64 Cb -0.10 -1.02 0.36 0.00 0.51 0.00 0.00 43.02 42.77 1rjj s PHE 64 CO 0.00 0.65 1.58 1.49 0.70 0.00 0.00 175.22 179.64 1rjj h GLU 65 N 2.52 0.00 0.00 0.44 4.57 -0.53 -2.48 114.58 119.10 1rjj h GLU 65 Ca -0.42 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.00 1rjj h GLU 65 Cb 1.25 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 1rjj h GLU 65 CO 0.57 0.50 0.63 0.27 -1.18 0.00 0.00 179.01 179.80 1rjj n ASN 66 N -3.42 -0.96 0.26 1.04 6.94 -1.26 -4.43 115.26 113.43 1rjj n ASN 66 Ca 0.00 -1.27 0.13 0.00 -0.02 0.00 0.00 54.58 53.42 1rjj n ASN 66 Cb 0.64 1.50 0.70 0.00 -2.36 0.00 0.00 39.78 40.26 1rjj n ASN 66 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1rjj h LYS 67 N 0.00 0.00 -0.81 -3.83 1.57 -1.98 -3.04 116.57 108.47 1rjj h LYS 67 Ca -0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1rjj h LYS 67 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1rjj h LYS 67 CO 0.24 0.12 0.44 -0.44 -0.57 0.00 0.00 179.45 179.24 1rjj h ASP 68 N 0.00 1.02 0.44 0.86 3.32 -1.99 0.07 116.42 120.14 1rjj h ASP 68 Ca -0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 1rjj h ASP 68 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1rjj h ASP 68 CO 0.02 0.83 -0.58 1.23 -1.72 0.00 0.00 179.24 179.02 1rjj h GLY 69 N 1.13 0.15 0.94 2.75 0.00 -1.86 -2.33 103.07 103.84 1rjj h GLY 69 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1rjj h GLY 69 CO -0.04 0.16 -0.23 -1.82 0.00 0.00 0.00 176.54 174.61 1rjj h TYR 70 N 0.10 0.78 0.00 5.60 3.20 -1.36 -2.13 116.97 123.16 1rjj h TYR 70 Ca -0.00 -0.22 -0.10 0.00 3.14 0.00 0.00 58.73 61.54 1rjj h TYR 70 Cb 1.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1rjj h TYR 70 CO 0.01 0.94 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.60 1rjj h VAL 71 N 0.39 1.23 0.69 1.81 -1.51 -0.98 -2.60 116.25 115.29 1rjj h VAL 71 Ca 0.05 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.78 1rjj h VAL 71 Cb 0.79 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.90 1rjj h VAL 71 CO 0.06 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.54 1rjj h ALA 72 N 1.52 -1.00 0.59 5.19 0.00 -1.24 -0.61 119.26 123.70 1rjj h ALA 72 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1rjj h ALA 72 Cb 0.91 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1rjj h ALA 72 CO 0.06 -0.93 -0.39 0.35 0.00 0.00 0.00 179.25 178.34 1rjj h PHE 73 N -1.16 -1.05 -0.68 0.00 3.57 -1.42 -2.18 116.94 114.02 1rjj h PHE 73 Ca -0.09 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.47 1rjj h PHE 73 Cb 0.71 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 1rjj h PHE 73 CO 0.02 -0.59 0.45 0.00 -2.23 0.00 0.00 178.31 175.96 1rjj h THR 74 N -0.94 0.99 -0.17 4.41 1.03 -1.57 -1.80 112.91 114.86 1rjj h THR 74 Ca -0.07 -0.23 -0.08 0.00 -0.01 0.00 0.00 66.41 66.02 1rjj h THR 74 Cb 0.77 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 1rjj h THR 74 CO 0.05 0.12 -0.25 0.28 -0.01 0.00 0.00 175.52 175.71 1rjj h SER 75 N 0.66 0.31 -2.94 0.00 0.02 -0.72 -3.42 113.55 107.46 1rjj h SER 75 Ca 0.30 -0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.62 1rjj h SER 75 Cb 0.32 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.80 1rjj h SER 75 CO -0.10 0.57 0.78 -1.00 -1.14 0.00 0.00 176.83 175.95 1rjj s HIS 76 N -4.48 3.08 -0.20 3.45 3.76 -0.68 -4.81 115.29 115.43 1rjj s HIS 76 Ca -0.06 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1rjj s HIS 76 Cb 0.14 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 30.10 1rjj s HIS 76 CO 0.76 -2.64 0.50 -2.30 -0.85 0.00 0.00 174.74 170.20 1rjj n PRO 77 N 4.34 0.00 0.21 8.40 -0.02 -1.26 -1.28 135.00 145.38 1rjj n PRO 77 Ca 0.12 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 1rjj n PRO 77 Cb 0.42 -1.84 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.11 2.45 5.85 -1.87 -2.99 115.31 118.86 1rjj h LEU 78 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1rjj h LEU 78 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1rjj h LEU 78 CO 0.00 0.28 -1.48 -0.74 -0.34 0.00 0.00 178.44 176.16 1rjj h HIS 79 N 0.00 0.43 0.75 1.25 2.76 -1.40 -2.95 115.15 116.00 1rjj h HIS 79 Ca -0.00 -0.32 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 1rjj h HIS 79 Cb 0.56 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.51 1rjj h HIS 79 CO 0.00 1.35 -0.36 0.28 -1.30 0.00 0.00 177.93 177.89 1rjj h VAL 80 N 0.06 0.00 -0.89 5.26 2.07 -1.72 0.82 116.25 121.86 1rjj h VAL 80 Ca -0.22 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1rjj h VAL 80 Cb 2.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1rjj h VAL 80 CO 0.16 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 178.01 1rjj h GLU 81 N -1.14 1.07 -0.27 1.57 4.39 -1.70 -1.80 114.58 116.69 1rjj h GLU 81 Ca -0.10 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 1rjj h GLU 81 Cb 0.78 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1rjj h GLU 81 CO 0.17 0.71 -0.14 0.35 -1.16 0.00 0.00 179.01 178.94 1rjj h PHE 82 N 1.10 0.66 -0.56 4.33 3.57 -1.40 -3.02 116.94 121.63 1rjj h PHE 82 Ca 0.36 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1rjj h PHE 82 Cb 0.04 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1rjj h PHE 82 CO -0.00 0.83 0.37 1.03 -2.23 0.00 0.00 178.31 178.31 1rjj h SER 83 N 0.31 0.63 0.35 0.41 0.87 0.12 0.65 113.55 116.89 1rjj h SER 83 Ca 0.06 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rjj h SER 83 Cb 0.66 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1rjj h SER 83 CO 0.04 0.46 -0.17 0.00 -0.53 0.00 0.00 176.83 176.63 1rjj h ALA 84 N 1.65 -0.47 -0.36 6.23 0.00 -1.22 -2.55 119.26 122.54 1rjj h ALA 84 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1rjj h ALA 84 Cb -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rjj h ALA 84 CO -0.05 -0.76 -0.22 0.00 0.00 0.00 0.00 179.25 178.23 1rjj h ALA 85 N 0.17 0.51 -1.65 0.00 0.00 -1.38 -2.28 119.26 114.63 1rjj h ALA 85 Ca -0.05 -0.37 0.48 0.00 0.00 0.00 0.00 54.91 54.97 1rjj h ALA 85 Cb 0.37 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1rjj h ALA 85 CO 0.08 0.47 1.19 0.35 0.00 0.00 0.00 179.25 181.34 1rjj h PHE 86 N 0.56 0.00 0.00 0.00 3.57 0.54 0.24 116.94 121.86 1rjj h PHE 86 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rjj h PHE 86 Cb 0.77 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1rjj h PHE 86 CO 0.06 -0.00 -0.13 1.15 -2.23 0.00 0.00 178.31 177.17 1rjj h THR 87 N 0.00 0.00 -1.39 4.41 2.02 -1.01 -3.09 112.91 113.85 1rjj h THR 87 Ca 0.78 -0.82 0.40 0.00 0.77 0.00 0.00 66.41 67.54 1rjj h THR 87 Cb 3.15 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.50 1rjj h THR 87 CO -0.01 0.00 1.30 0.00 0.37 0.00 0.00 175.52 177.18 1rjj n ALA 88 N -2.87 1.34 -0.41 6.16 0.00 0.25 0.33 120.51 125.31 1rjj n ALA 88 Ca -0.02 0.46 0.10 0.00 0.00 0.00 0.00 53.44 53.98 1rjj n ALA 88 Cb 0.07 -0.80 0.30 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.49 1.23 -4.35 0.00 0.24 0.60 -4.91 118.33 107.65 1rjj n VAL 89 Ca 0.31 -1.07 -0.20 0.00 -2.04 0.00 0.00 64.34 61.35 1rjj n VAL 89 Cb 1.72 0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 34.38 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 -1.24 1.81 -0.17 1.34 1.01 1.02 -4.55 121.20 120.41 1rjj s ILE 90 Ca 0.44 -2.15 0.11 0.00 0.00 0.00 0.00 60.65 59.06 1rjj s ILE 90 Cb 0.25 -2.01 -0.18 0.00 0.01 0.00 0.00 42.46 40.53 1rjj s ILE 90 CO 0.27 -0.51 0.00 -0.67 0.00 0.00 0.00 174.94 174.03 1rjj n ASP 91 N -0.23 1.37 -3.77 3.58 2.03 0.43 -4.70 116.55 115.27 1rjj n ASP 91 Ca -0.09 -0.03 -0.13 0.00 0.52 0.00 0.00 54.79 55.06 1rjj n ASP 91 Cb 0.59 0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 41.51 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 0.56 -0.08 -0.67 -2.85 -1.22 -4.94 119.74 108.15 1rjj s LYS 92 Ca -0.12 -0.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.84 1rjj s LYS 92 Cb 0.05 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1rjj s LYS 92 CO 0.61 -0.14 -0.13 -1.50 0.10 0.00 0.00 175.35 174.30 1rjj s ILE 93 N -0.89 1.27 -0.03 3.79 1.10 -1.26 -3.58 121.20 121.60 1rjj s ILE 93 Ca -0.10 -0.53 0.02 0.00 -0.51 0.00 0.00 60.65 59.54 1rjj s ILE 93 Cb -0.05 -1.17 0.00 0.00 0.15 0.00 0.00 42.46 41.40 1rjj s ILE 93 CO 0.03 0.39 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.47 1rjj s VAL 94 N 0.86 0.79 -0.04 4.00 1.01 -1.10 -4.99 120.40 120.93 1rjj s VAL 94 Ca -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1rjj s VAL 94 Cb -0.15 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1rjj s VAL 94 CO 0.01 0.25 -0.03 -0.76 0.00 0.00 0.00 175.10 174.57 1rjj s LEU 95 N 0.22 1.31 -0.13 3.92 1.02 -1.26 -1.39 118.68 122.38 1rjj s LEU 95 Ca -0.04 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.04 1rjj s LEU 95 Cb -0.09 -0.36 0.00 0.00 0.02 0.00 0.00 46.19 45.76 1rjj s LEU 95 CO 0.01 -0.06 -0.21 -0.76 0.02 0.00 0.00 176.35 175.35 1rjj s LEU 96 N 0.89 2.23 -0.12 1.79 1.02 -0.39 -4.96 118.68 119.14 1rjj s LEU 96 Ca -0.11 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1rjj s LEU 96 Cb -0.14 -1.47 0.01 0.00 0.02 0.00 0.00 46.19 44.61 1rjj s LEU 96 CO -0.00 0.12 -0.18 -1.81 0.02 0.00 0.00 176.35 174.49 1rjj s ASP 97 N 0.60 2.73 -0.11 2.29 1.01 -1.26 -1.97 116.67 119.95 1rjj s ASP 97 Ca -0.11 -0.50 -0.05 0.00 0.71 0.00 0.00 52.55 52.59 1rjj s ASP 97 Cb -0.16 -1.24 0.05 0.00 1.01 0.00 0.00 42.92 42.58 1rjj s ASP 97 CO 0.03 0.04 0.25 0.72 0.21 0.00 0.00 175.17 176.42 1rjj s PHE 98 N 0.93 -0.36 -0.14 4.23 -0.12 -1.12 -5.01 117.98 116.39 1rjj s PHE 98 Ca -0.06 0.85 -0.39 0.00 -0.05 0.00 0.00 56.93 57.27 1rjj s PHE 98 Cb -0.15 0.03 -0.16 0.00 -0.63 0.00 0.00 43.02 42.11 1rjj s PHE 98 CO -0.02 -0.27 1.61 -2.30 -0.05 0.00 0.00 175.22 174.19 1rjj n PRO 99 N 4.54 1.20 -4.40 1.99 -0.02 -1.26 -3.45 135.00 133.61 1rjj n PRO 99 Ca -0.20 0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 61.38 1rjj n PRO 99 Cb 0.52 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.49 4.01 -0.97 -1.45 1.01 -1.20 -4.29 120.40 119.99 1rjj s VAL 100 Ca 0.93 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1rjj s VAL 100 Cb -1.01 -2.73 0.24 0.00 0.00 0.00 0.00 36.38 32.88 1rjj s VAL 100 CO 0.58 0.52 0.90 0.00 0.00 0.00 0.00 175.10 177.11 1rjj s ALA 101 N 0.01 4.42 -1.01 5.51 0.00 -1.26 -2.95 121.76 126.48 1rjj s ALA 101 Ca 0.01 -3.83 -0.25 0.00 0.00 0.00 0.00 51.96 47.89 1rjj s ALA 101 Cb -0.13 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.75 1rjj s ALA 101 CO 0.02 -2.17 2.09 0.00 0.00 0.00 0.00 175.76 175.71 1rjj s ALA 102 N -1.29 1.14 0.00 0.00 0.00 -1.26 -3.92 121.76 116.42 1rjj s ALA 102 Ca 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1rjj s ALA 102 Cb -0.08 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1rjj s ALA 102 CO -0.11 -5.79 0.00 1.33 0.00 0.00 0.00 175.76 171.19 1rjj n VAL 103 N 8.40 0.00 -2.84 0.00 0.24 -1.26 -5.04 118.33 117.83 1rjj n VAL 103 Ca 0.43 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.73 1rjj n VAL 103 Cb 0.46 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.15 -1.29 -0.13 7.34 5.02 -1.25 -4.73 118.16 122.97 1rjj n LYS 104 Ca 0.00 1.16 -0.05 0.00 -2.02 0.00 0.00 58.31 57.40 1rjj n LYS 104 Cb 0.00 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1rjj n LYS 104 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1rjj h SER 105 N 4.82 -0.53 -4.41 4.39 0.02 -1.99 -3.43 113.55 112.41 1rjj h SER 105 Ca -0.03 0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1rjj h SER 105 Cb 0.07 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1rjj h SER 105 CO 0.00 -0.18 -0.16 -0.24 -1.14 0.00 0.00 176.83 175.11 1rjj n SER 106 N -5.35 -2.43 0.09 3.07 2.88 -1.26 -4.79 113.62 105.83 1rjj n SER 106 Ca 0.03 0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1rjj n SER 106 Cb 0.26 -2.14 -0.07 0.00 -0.75 0.00 0.00 64.21 61.51 1rjj n SER 106 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1rjj h VAL 107 N 0.00 0.60 -3.23 2.46 2.07 -1.98 -3.46 116.25 112.71 1rjj h VAL 107 Ca -0.14 -0.95 -0.17 0.00 0.82 0.00 0.00 66.70 66.26 1rjj h VAL 107 Cb 1.10 0.99 -0.25 0.00 -1.52 0.00 0.00 31.29 31.61 1rjj h VAL 107 CO 0.17 0.15 -0.46 0.54 0.02 0.00 0.00 177.57 177.99 1rjj s VAL 108 N -3.45 0.01 -0.25 2.57 0.11 -1.26 -5.13 120.40 112.99 1rjj s VAL 108 Ca -0.11 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1rjj s VAL 108 Cb 0.01 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1rjj s VAL 108 CO 0.41 -0.03 0.10 0.00 -3.33 0.00 0.00 175.10 172.24 1rjj s ALA 109 N -0.03 3.26 0.04 1.54 0.00 -1.26 -5.08 121.76 120.23 1rjj s ALA 109 Ca -0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1rjj s ALA 109 Cb -0.02 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 1rjj s ALA 109 CO 0.00 -0.49 0.08 -0.08 0.00 0.00 0.00 175.76 175.28 1rjj s THR 110 N 1.62 0.14 -2.00 0.00 -1.32 -1.26 -5.27 115.64 107.55 1rjj s THR 110 Ca 0.06 -1.16 0.26 0.00 -1.21 0.00 0.00 61.69 59.65 1rjj s THR 110 Cb -0.15 -0.92 0.74 0.00 -1.51 0.00 0.00 72.50 70.66 1rjj s THR 110 CO 0.05 -0.64 1.91 -0.81 -2.21 0.00 0.00 174.62 172.93