#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 -2.55 0.55 -5.12 0.00 -1.26 -4.91 120.51 107.23 1rjj n ALA 2 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1rjj n ALA 2 Cb 0.00 -2.60 0.07 0.00 0.00 0.00 0.00 19.45 16.92 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 -2.47 0.08 0.00 0.00 5.66 -1.26 -5.00 114.28 111.29 1rjj n THR 3 Ca -0.07 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1rjj n THR 3 Cb 0.56 1.25 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 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 0.83 0.00 -4.40 1.09 7.64 -1.26 -5.00 113.62 112.52 1rjj n SER 4 Ca 0.09 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.74 1rjj n SER 4 Cb 0.38 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1rjj n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rjj n GLY 5 N 0.00 2.87 2.99 0.23 0.00 -0.48 -4.21 105.19 106.60 1rjj n GLY 5 Ca 0.00 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.34 1.28 -0.15 1.61 0.08 -0.20 -2.66 117.98 115.60 1rjj s PHE 6 Ca 0.24 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1rjj s PHE 6 Cb -0.02 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1rjj s PHE 6 CO 0.15 -0.25 0.05 0.21 -0.10 0.00 0.00 175.22 175.28 1rjj s LYS 7 N 0.70 3.63 -0.10 0.44 2.20 -1.21 -0.87 119.74 124.54 1rjj s LYS 7 Ca -0.14 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1rjj s LYS 7 Cb -0.15 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1rjj s LYS 7 CO 0.03 0.45 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.76 1rjj s HIS 8 N -0.14 1.71 0.01 4.03 5.65 0.77 -2.50 115.29 124.82 1rjj s HIS 8 Ca 0.07 -0.77 0.03 0.00 0.25 0.00 0.00 55.06 54.63 1rjj s HIS 8 Cb -0.12 -1.27 -0.01 0.00 -1.18 0.00 0.00 32.58 29.99 1rjj s HIS 8 CO 0.01 -0.42 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.42 1rjj s LEU 9 N 1.04 2.08 -0.01 8.88 0.20 -0.69 -1.09 118.68 129.09 1rjj s LEU 9 Ca -0.07 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1rjj s LEU 9 Cb -0.15 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 45.19 1rjj s LEU 9 CO -0.01 0.04 -0.12 0.54 -0.29 0.00 0.00 176.35 176.51 1rjj s VAL 10 N -0.48 0.94 -0.06 1.68 0.11 -1.15 -0.94 120.40 120.49 1rjj s VAL 10 Ca 0.01 -0.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1rjj s VAL 10 Cb -0.05 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1rjj s VAL 10 CO 0.00 0.25 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.10 1rjj s VAL 11 N -0.31 1.93 0.12 2.04 1.01 -0.72 -2.61 120.40 121.86 1rjj s VAL 11 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1rjj s VAL 11 Cb -0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1rjj s VAL 11 CO -0.00 0.54 -0.01 0.68 0.00 0.00 0.00 175.10 176.31 1rjj s VAL 12 N 0.00 0.43 0.08 2.92 -7.23 -0.97 -2.92 120.40 112.71 1rjj s VAL 12 Ca -0.07 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1rjj s VAL 12 Cb -0.14 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1rjj s VAL 12 CO 0.05 -0.67 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.30 1rjj s LYS 13 N -3.93 0.82 0.09 4.82 2.47 -1.24 -1.96 119.74 120.81 1rjj s LYS 13 Ca 0.18 -1.05 0.06 0.00 -1.56 0.00 0.00 55.97 53.60 1rjj s LYS 13 Cb 0.07 -0.64 -0.04 0.00 -1.46 0.00 0.00 37.83 35.76 1rjj s LYS 13 CO -0.02 0.12 -0.07 -0.59 0.16 0.00 0.00 175.35 174.96 1rjj s PHE 14 N -1.88 2.82 0.00 4.03 -0.71 -1.26 0.13 117.98 121.11 1rjj s PHE 14 Ca 0.01 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 1rjj s PHE 14 Cb -0.06 -1.48 0.00 0.00 -1.21 0.00 0.00 43.02 40.27 1rjj s PHE 14 CO 0.01 0.44 0.00 0.36 -1.34 0.00 0.00 175.22 174.69 1rjj n LYS 15 N 0.74 3.14 -0.09 1.99 2.85 -1.26 -4.78 118.16 120.76 1rjj n LYS 15 Ca -0.13 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.02 1rjj n LYS 15 Cb 0.52 -0.72 -0.05 0.00 -0.65 0.00 0.00 35.03 34.13 1rjj n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1rjj n GLU 16 N -0.71 0.50 0.00 -1.58 1.02 -1.26 -5.00 120.64 113.61 1rjj n GLU 16 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1rjj n GLU 16 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1rjj n GLU 16 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1rjj n ASP 17 N -4.53 0.00 -4.47 1.62 2.03 -1.26 -5.09 116.55 104.86 1rjj n ASP 17 Ca -0.18 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.67 1rjj n ASP 17 Cb 0.45 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.07 -2.01 5.18 -1.04 -1.26 -4.78 114.28 110.44 1rjj n THR 18 Ca 0.00 -0.30 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 1rjj n THR 18 Cb 0.00 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 66.88 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 7.31 2.37 0.18 -2.82 3.01 -1.26 -4.72 119.74 123.81 1rjj s LYS 19 Ca 1.14 -0.79 -0.12 0.00 -1.01 0.00 0.00 55.97 55.19 1rjj s LYS 19 Cb -0.84 -5.15 0.10 0.00 -1.01 0.00 0.00 37.83 30.93 1rjj s LYS 19 CO 0.45 -3.95 1.80 -0.39 0.51 0.00 0.00 175.35 173.77 1rjj h VAL 20 N 6.60 1.20 -0.42 3.17 -1.51 -1.97 0.35 116.25 123.66 1rjj h VAL 20 Ca 0.16 -0.51 -0.06 0.00 -1.23 0.00 0.00 66.70 65.05 1rjj h VAL 20 Cb 0.97 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 1rjj h VAL 20 CO 1.19 0.22 0.02 -2.24 -1.23 0.00 0.00 177.57 175.53 1rjj h ASP 21 N 0.87 0.72 0.18 4.19 2.03 -1.98 2.27 116.42 124.70 1rjj h ASP 21 Ca 0.23 -0.30 -0.14 0.00 -0.73 0.00 0.00 57.03 56.09 1rjj h ASP 21 Cb 0.04 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1rjj h ASP 21 CO -0.04 0.84 -0.51 -0.33 -1.03 0.00 0.00 179.24 178.17 1rjj h GLU 22 N 0.58 0.38 -0.29 4.15 5.08 -1.91 -1.32 114.58 121.24 1rjj h GLU 22 Ca 0.12 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1rjj h GLU 22 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1rjj h GLU 22 CO 0.02 0.80 -0.06 0.82 -1.00 0.00 0.00 179.01 179.59 1rjj h ILE 23 N 0.30 1.28 -0.95 3.13 1.08 0.11 -2.35 117.51 120.11 1rjj h ILE 23 Ca 0.01 -1.09 0.17 0.00 -0.39 0.00 0.00 64.86 63.56 1rjj h ILE 23 Cb 1.01 1.39 -0.08 0.00 -3.07 0.00 0.00 36.82 36.06 1rjj h ILE 23 CO 0.09 0.35 0.60 0.25 -0.69 0.00 0.00 178.15 178.75 1rjj h LEU 24 N 0.33 0.69 -1.45 1.44 5.85 0.43 0.85 115.31 123.44 1rjj h LEU 24 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1rjj h LEU 24 Cb 0.54 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1rjj h LEU 24 CO 0.03 0.31 0.30 0.50 -0.34 0.00 0.00 178.44 179.23 1rjj h LYS 25 N 0.71 0.66 0.42 1.25 3.64 -0.71 -1.58 116.57 120.96 1rjj h LYS 25 Ca 0.50 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1rjj h LYS 25 Cb 0.83 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1rjj h LYS 25 CO -0.26 0.47 -0.20 0.78 -2.27 0.00 0.00 179.45 177.97 1rjj h GLY 26 N 0.72 -0.59 -0.42 5.01 0.00 0.88 -2.07 103.07 106.61 1rjj h GLY 26 Ca 0.18 0.22 0.24 0.00 0.00 0.00 0.00 47.33 47.96 1rjj h GLY 26 CO -0.03 -0.21 0.28 -2.00 0.00 0.00 0.00 176.54 174.58 1rjj h LEU 27 N -0.59 0.09 -1.67 3.11 6.46 -0.57 2.50 115.31 124.63 1rjj h LEU 27 Ca -0.06 0.19 0.24 0.00 -0.12 0.00 0.00 57.88 58.14 1rjj h LEU 27 Cb 0.45 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 1rjj h LEU 27 CO 0.09 -0.13 0.64 -0.33 -0.62 0.00 0.00 178.44 178.09 1rjj h GLU 28 N 0.24 0.24 -0.33 1.25 4.39 -0.65 0.94 114.58 120.67 1rjj h GLU 28 Ca 0.57 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.19 1rjj h GLU 28 Cb 1.14 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1rjj h GLU 28 CO -0.63 0.16 -0.02 -0.91 -1.16 0.00 0.00 179.01 176.45 1rjj h ASN 29 N 0.25 0.60 -0.62 1.42 2.35 0.45 -2.78 115.58 117.24 1rjj h ASN 29 Ca 0.49 -0.32 0.13 0.00 -0.55 0.00 0.00 56.30 56.04 1rjj h ASN 29 Cb 1.48 -0.16 -0.10 0.00 0.05 0.00 0.00 38.32 39.58 1rjj h ASN 29 CO -0.13 0.78 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.34 1rjj h LEU 30 N 0.40 -0.29 -1.81 1.61 -0.00 0.14 1.06 115.31 116.43 1rjj h LEU 30 Ca 0.09 0.15 0.36 0.00 -0.00 0.00 0.00 57.88 58.49 1rjj h LEU 30 Cb 0.48 0.28 -0.07 0.00 -0.00 0.00 0.00 40.66 41.35 1rjj h LEU 30 CO 0.02 -0.12 0.87 0.58 -0.00 0.00 0.00 178.44 179.79 1rjj h VAL 31 N 0.11 0.37 -0.74 1.22 2.07 -1.06 0.40 116.25 118.61 1rjj h VAL 31 Ca 0.32 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.97 1rjj h VAL 31 Cb 0.52 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 30.42 1rjj h VAL 31 CO -0.53 0.02 -0.12 0.77 0.02 0.00 0.00 177.57 177.72 1rjj h SER 32 N 0.09 -0.58 0.78 0.57 4.64 0.12 1.19 113.55 120.36 1rjj h SER 32 Ca 0.63 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 62.16 1rjj h SER 32 Cb 2.28 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 64.79 1rjj h SER 32 CO -0.11 -0.23 0.00 0.00 -0.87 0.00 0.00 176.83 175.63 1rjj n GLN 33 N -5.44 0.10 -0.87 4.77 1.13 0.14 -3.16 117.38 114.04 1rjj n GLN 33 Ca 0.11 0.26 -0.05 0.00 -1.94 0.00 0.00 57.00 55.39 1rjj n GLN 33 Cb 0.41 -1.66 0.26 0.00 0.11 0.00 0.00 30.24 29.36 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rjj n ILE 34 N -1.84 2.55 0.08 5.09 2.08 0.41 -4.18 119.36 123.55 1rjj n ILE 34 Ca 0.04 -1.36 0.05 0.00 0.56 0.00 0.00 62.75 62.04 1rjj n ILE 34 Cb 0.25 -0.42 0.28 0.00 -0.75 0.00 0.00 39.64 39.01 1rjj n ILE 34 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1rjj n ASP 35 N -0.07 0.27 0.00 4.38 8.00 -1.18 0.13 116.55 128.09 1rjj n ASP 35 Ca 0.35 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.57 1rjj n ASP 35 Cb 1.23 -0.64 0.67 0.00 -0.02 0.00 0.00 41.12 42.37 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 -1.86 0.07 -2.58 -3.53 -2.24 -1.26 -4.82 114.28 98.05 1rjj n THR 36 Ca -0.01 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1rjj n THR 36 Cb 0.05 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.06 0.00 -2.11 2.28 0.24 0.35 -4.66 118.33 113.36 1rjj n VAL 37 Ca 0.16 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.21 1rjj n VAL 37 Cb 0.10 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 32.36 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 -2.27 3.56 -3.80 7.34 5.02 -1.26 -5.02 118.16 121.72 1rjj n LYS 38 Ca 0.03 -4.23 -0.01 0.00 -2.02 0.00 0.00 58.31 52.09 1rjj n LYS 38 Cb 0.35 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rjj s SER 39 N -3.54 -0.05 0.06 4.39 0.01 -1.26 -0.08 113.70 113.23 1rjj s SER 39 Ca 0.51 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 1rjj s SER 39 Cb 0.41 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1rjj s SER 39 CO -0.02 -0.62 0.19 -0.36 0.41 0.00 0.00 173.24 172.84 1rjj s PHE 40 N -2.44 0.11 -0.24 2.43 0.08 0.18 -4.90 117.98 113.21 1rjj s PHE 40 Ca 0.19 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.72 1rjj s PHE 40 Cb 0.00 -0.05 0.10 0.00 -0.57 0.00 0.00 43.02 42.50 1rjj s PHE 40 CO 0.01 -0.48 0.51 -1.21 -0.10 0.00 0.00 175.22 173.95 1rjj s GLU 41 N -3.22 0.44 0.37 0.44 2.02 -1.25 -1.08 118.70 116.43 1rjj s GLU 41 Ca -0.00 1.17 0.05 0.00 0.02 0.00 0.00 54.97 56.21 1rjj s GLU 41 Cb 0.02 0.48 -0.07 0.00 0.10 0.00 0.00 34.13 34.65 1rjj s GLU 41 CO -0.07 -0.22 0.03 -1.58 0.02 0.00 0.00 175.26 173.44 1rjj s TRP 42 N 2.54 2.24 0.13 1.61 0.52 -1.16 -4.96 118.94 119.87 1rjj s TRP 42 Ca -0.04 -0.82 0.04 0.00 0.02 0.00 0.00 56.10 55.30 1rjj s TRP 42 Cb -0.11 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1rjj s TRP 42 CO -0.15 0.23 -0.09 0.20 0.02 0.00 0.00 176.95 177.16 1rjj s GLY 43 N -3.61 0.97 -0.08 0.98 0.00 -1.26 -2.89 107.32 101.44 1rjj s GLY 43 Ca 0.35 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1rjj s GLY 43 CO 0.17 -1.55 0.36 -0.54 0.00 0.00 0.00 173.10 171.54 1rjj s GLU 44 N -3.78 0.58 0.07 2.90 2.02 -1.09 -4.98 118.70 114.43 1rjj s GLU 44 Ca 0.15 0.17 0.07 0.00 0.02 0.00 0.00 54.97 55.38 1rjj s GLU 44 Cb 0.03 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.50 1rjj s GLU 44 CO -0.01 -0.13 -0.19 0.34 0.02 0.00 0.00 175.26 175.29 1rjj s ASP 45 N -0.59 2.26 -0.10 -0.19 2.15 -1.26 -2.02 116.67 116.91 1rjj s ASP 45 Ca -0.07 -0.60 -0.04 0.00 0.43 0.00 0.00 52.55 52.27 1rjj s ASP 45 Cb -0.04 -0.14 0.05 0.00 -0.30 0.00 0.00 42.92 42.50 1rjj s ASP 45 CO 0.03 0.06 0.22 -1.59 -0.17 0.00 0.00 175.17 173.71 1rjj s LYS 46 N -1.58 0.12 0.00 4.34 0.00 -1.10 -4.96 119.74 116.56 1rjj s LYS 46 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 55.97 56.63 1rjj s LYS 46 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 37.83 37.60 1rjj s LYS 46 CO 0.03 -0.26 0.32 0.39 0.00 0.00 0.00 175.35 175.83 1rjj n GLU 47 N 5.01 0.11 0.00 1.78 1.02 -1.26 -4.46 120.64 122.83 1rjj n GLU 47 Ca -0.12 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1rjj n GLU 47 Cb 0.51 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rjj n SER 48 N -0.05 0.00 -4.82 1.62 3.41 -1.26 -4.89 113.62 107.63 1rjj n SER 48 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1rjj n SER 48 Cb 0.26 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1rjj n SER 48 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1rjj s HIS 49 N 0.00 3.07 0.17 7.33 2.46 -1.26 -4.62 115.29 122.44 1rjj s HIS 49 Ca 0.00 1.42 -0.14 0.00 0.47 0.00 0.00 55.06 56.81 1rjj s HIS 49 Cb 0.00 -2.90 0.06 0.00 -0.13 0.00 0.00 32.58 29.61 1rjj s HIS 49 CO 0.00 -1.29 1.79 -0.44 -2.47 0.00 0.00 174.74 172.33 1rjj h ASP 50 N -0.76 0.66 0.08 9.88 3.32 -1.93 1.24 116.42 128.90 1rjj h ASP 50 Ca -0.44 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.44 1rjj h ASP 50 Cb 1.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1rjj h ASP 50 CO 0.56 0.54 -0.31 -0.03 -1.72 0.00 0.00 179.24 178.28 1rjj h MET 51 N 0.72 0.35 0.00 3.56 4.05 -1.93 -2.26 114.93 119.43 1rjj h MET 51 Ca 0.19 -0.14 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 1rjj h MET 51 Cb 0.01 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1rjj h MET 51 CO -0.03 0.63 -0.86 -0.07 0.23 0.00 0.00 176.91 176.81 1rjj h LEU 52 N 0.31 0.00 0.00 3.39 3.38 -1.84 -3.34 115.31 117.20 1rjj h LEU 52 Ca 0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1rjj h LEU 52 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1rjj h LEU 52 CO 0.05 1.14 0.00 -2.11 0.09 0.00 0.00 178.44 177.61 1rjj n ARG 53 N -4.53 0.22 0.00 1.13 1.85 0.42 -4.74 116.66 111.01 1rjj n ARG 53 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1rjj n ARG 53 Cb 0.48 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.54 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 -0.85 0.00 0.00 2.89 1.13 -0.85 -3.23 117.38 116.47 1rjj n GLN 54 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1rjj n GLN 54 Cb 0.02 -3.35 0.00 0.00 0.11 0.00 0.00 30.24 27.02 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 -1.54 3.04 0.00 1.08 0.00 -1.23 -4.96 105.19 101.58 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 -1.64 0.00 0.00 1.61 3.72 -1.20 -5.00 117.46 114.96 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 -3.58 4.37 5.66 -0.83 -4.81 114.28 115.09 1rjj n THR 57 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1rjj n THR 57 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1rjj s HIS 58 N -0.93 -0.24 0.18 1.09 5.65 -1.21 -2.70 115.29 117.12 1rjj s HIS 58 Ca 0.00 0.31 -0.03 0.00 0.25 0.00 0.00 55.06 55.59 1rjj s HIS 58 Cb 0.00 0.49 -0.03 0.00 -1.18 0.00 0.00 32.58 31.86 1rjj s HIS 58 CO 0.00 -0.29 0.15 0.00 -0.65 0.00 0.00 174.74 173.96 1rjj s ALA 59 N -1.80 0.82 -0.04 1.58 0.00 -0.86 -2.30 121.76 119.16 1rjj s ALA 59 Ca 0.04 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1rjj s ALA 59 Cb -0.01 1.14 0.02 0.00 0.00 0.00 0.00 23.12 24.27 1rjj s ALA 59 CO -0.04 -0.59 -0.04 -0.06 0.00 0.00 0.00 175.76 175.03 1rjj s PHE 60 N -4.09 0.69 -0.50 0.00 0.08 -1.07 -2.67 117.98 110.41 1rjj s PHE 60 Ca 0.30 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1rjj s PHE 60 Cb 0.06 -0.60 0.13 0.00 -0.57 0.00 0.00 43.02 42.03 1rjj s PHE 60 CO 0.07 -0.16 0.39 -1.12 -0.10 0.00 0.00 175.22 174.30 1rjj s SER 61 N 0.78 5.81 -0.24 1.36 0.01 -1.14 -2.95 113.70 117.33 1rjj s SER 61 Ca -0.10 -1.96 -0.10 0.00 1.31 0.00 0.00 55.95 55.09 1rjj s SER 61 Cb -0.13 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1rjj s SER 61 CO 0.00 -0.71 0.16 -0.04 0.41 0.00 0.00 173.24 173.06 1rjj s MET 62 N 1.30 4.06 0.02 12.44 -1.94 -0.25 -3.00 119.30 131.93 1rjj s MET 62 Ca 0.06 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.84 1rjj s MET 62 Cb -0.26 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.02 1rjj s MET 62 CO -0.01 0.05 -0.22 0.99 -0.01 0.00 0.00 175.02 175.83 1rjj s THR 63 N 1.09 1.75 -0.12 2.05 2.01 -0.24 -0.16 115.64 122.02 1rjj s THR 63 Ca 0.07 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 60.98 1rjj s THR 63 Cb -0.14 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1rjj s THR 63 CO 0.05 0.33 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.75 1rjj s PHE 64 N -0.69 2.37 0.53 4.92 0.40 -0.05 0.50 117.98 125.96 1rjj s PHE 64 Ca 0.08 -1.10 0.37 0.00 -0.60 0.00 0.00 56.93 55.68 1rjj s PHE 64 Cb -0.09 -1.63 1.54 0.00 0.51 0.00 0.00 43.02 43.35 1rjj s PHE 64 CO 0.01 -0.50 1.77 1.49 0.70 0.00 0.00 175.22 178.68 1rjj h GLU 65 N 7.16 0.03 -2.44 0.44 4.81 -0.80 -0.51 114.58 123.28 1rjj h GLU 65 Ca -0.28 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1rjj h GLU 65 Cb 1.20 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 1rjj h GLU 65 CO 0.51 0.02 0.46 0.54 -0.73 0.00 0.00 179.01 179.81 1rjj s ASN 66 N -4.98 -0.17 0.63 1.04 2.20 -1.26 -3.82 114.94 108.59 1rjj s ASN 66 Ca -0.05 -0.46 0.35 0.00 -0.94 0.00 0.00 52.86 51.76 1rjj s ASN 66 Cb 0.24 0.52 1.98 0.00 -2.00 0.00 0.00 41.25 41.99 1rjj s ASN 66 CO 0.82 -0.97 2.19 0.11 -2.94 0.00 0.00 177.10 176.31 1rjj h LYS 67 N 2.00 0.00 -0.99 3.55 1.57 -1.90 -2.52 116.57 118.28 1rjj h LYS 67 Ca -0.24 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1rjj h LYS 67 Cb 1.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 1rjj h LYS 67 CO 0.26 0.00 0.63 0.22 -0.57 0.00 0.00 179.45 179.99 1rjj h ASP 68 N 0.00 0.98 0.06 0.86 3.58 -1.95 0.21 116.42 120.16 1rjj h ASP 68 Ca 0.02 0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 1rjj h ASP 68 Cb 0.27 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1rjj h ASP 68 CO -0.00 0.58 -0.58 1.23 -2.88 0.00 0.00 179.24 177.59 1rjj h GLY 69 N 1.09 0.59 0.95 -0.78 0.00 -1.74 -2.18 103.07 101.00 1rjj h GLY 69 Ca 0.45 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1rjj h GLY 69 CO -0.21 0.63 0.18 -1.82 0.00 0.00 0.00 176.54 175.32 1rjj h TYR 70 N 0.40 0.66 0.00 5.60 3.20 -1.21 -0.99 116.97 124.63 1rjj h TYR 70 Ca -0.00 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 1rjj h TYR 70 Cb 1.13 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1rjj h TYR 70 CO 0.05 0.57 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.27 1rjj h VAL 71 N 0.57 1.24 0.69 1.81 -1.51 -1.01 -2.73 116.25 115.30 1rjj h VAL 71 Ca 0.15 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.88 1rjj h VAL 71 Cb 0.18 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1rjj h VAL 71 CO -0.01 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.47 1rjj h ALA 72 N 1.52 -1.00 -0.79 5.19 0.00 -0.82 0.14 119.26 123.49 1rjj h ALA 72 Ca -0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1rjj h ALA 72 Cb 0.91 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1rjj h ALA 72 CO 0.06 -0.93 0.47 0.27 0.00 0.00 0.00 179.25 179.12 1rjj h PHE 73 N -1.15 0.87 0.00 0.00 -5.15 -1.23 -2.42 116.94 107.85 1rjj h PHE 73 Ca -0.09 0.03 -0.20 0.00 -0.20 0.00 0.00 57.97 57.50 1rjj h PHE 73 Cb 0.71 -0.27 -0.01 0.00 0.22 0.00 0.00 35.95 36.60 1rjj h PHE 73 CO 0.02 0.42 -0.88 0.00 -2.00 0.00 0.00 178.31 175.87 1rjj h THR 74 N 0.85 1.48 -0.22 0.88 1.03 -1.51 -3.22 112.91 112.21 1rjj h THR 74 Ca 0.35 -2.58 -0.04 0.00 -0.01 0.00 0.00 66.41 64.13 1rjj h THR 74 Cb 0.20 2.45 -0.01 0.00 -1.07 0.00 0.00 68.15 69.72 1rjj h THR 74 CO -0.19 0.75 -0.04 0.28 -0.01 0.00 0.00 175.52 176.32 1rjj h SER 75 N 0.13 0.31 -4.13 0.00 0.02 -0.24 -3.43 113.55 106.20 1rjj h SER 75 Ca -0.05 -0.05 -0.49 0.00 -0.84 0.00 0.00 61.79 60.36 1rjj h SER 75 Cb 1.51 -0.08 0.06 0.00 0.14 0.00 0.00 62.40 64.03 1rjj h SER 75 CO 0.14 0.40 0.40 -1.00 -1.14 0.00 0.00 176.83 175.62 1rjj s HIS 76 N -4.91 2.81 -2.00 3.45 3.76 -1.05 -4.89 115.29 112.47 1rjj s HIS 76 Ca -0.06 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.49 1rjj s HIS 76 Cb 0.16 -3.15 0.57 0.00 1.11 0.00 0.00 32.58 31.27 1rjj s HIS 76 CO 0.74 -1.31 1.02 -0.35 -0.85 0.00 0.00 174.74 173.99 1rjj n PRO 77 N -1.57 0.51 0.11 8.40 -0.04 -1.26 -3.21 135.00 137.93 1rjj n PRO 77 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1rjj n PRO 77 Cb 0.52 -1.30 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.20 1.53 5.85 -1.90 -3.16 115.31 117.83 1rjj h LEU 78 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1rjj h LEU 78 Cb 0.00 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.05 1rjj h LEU 78 CO 0.00 0.71 -1.32 -0.74 -0.34 0.00 0.00 178.44 176.75 1rjj h HIS 79 N 0.00 0.75 0.77 1.25 2.76 -1.74 -2.74 115.15 116.20 1rjj h HIS 79 Ca -0.01 -0.55 -0.04 0.00 -2.20 0.00 0.00 60.37 57.58 1rjj h HIS 79 Cb 1.38 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.32 1rjj h HIS 79 CO 0.00 1.51 -0.37 -0.24 -1.30 0.00 0.00 177.93 177.53 1rjj h VAL 80 N -0.07 0.12 -0.98 5.26 3.04 -1.77 0.98 116.25 122.84 1rjj h VAL 80 Ca -0.24 -0.18 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 1rjj h VAL 80 Cb 1.96 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 31.33 1rjj h VAL 80 CO 0.20 0.01 0.64 -0.08 -1.01 0.00 0.00 177.57 177.33 1rjj h GLU 81 N -1.18 1.18 -0.26 4.17 4.57 -1.72 -1.72 114.58 119.62 1rjj h GLU 81 Ca -0.11 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 1rjj h GLU 81 Cb 0.81 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1rjj h GLU 81 CO 0.17 0.78 -0.25 0.35 -1.18 0.00 0.00 179.01 178.89 1rjj h PHE 82 N 1.22 0.74 -0.69 0.92 3.57 -1.33 -3.08 116.94 118.28 1rjj h PHE 82 Ca 0.39 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1rjj h PHE 82 Cb 0.04 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1rjj h PHE 82 CO -0.00 0.93 0.46 0.77 -2.23 0.00 0.00 178.31 178.24 1rjj h SER 83 N 0.34 0.75 0.27 0.41 0.02 0.16 0.84 113.55 116.33 1rjj h SER 83 Ca 0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1rjj h SER 83 Cb 0.80 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1rjj h SER 83 CO 0.06 0.52 -0.17 0.00 -1.14 0.00 0.00 176.83 176.11 1rjj h ALA 84 N 1.59 -0.41 -0.32 3.77 0.00 -1.25 -2.43 119.26 120.22 1rjj h ALA 84 Ca 0.27 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1rjj h ALA 84 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rjj h ALA 84 CO -0.07 -0.74 -0.34 0.00 0.00 0.00 0.00 179.25 178.10 1rjj h ALA 85 N 0.29 0.47 -1.64 0.00 0.00 -1.41 -2.43 119.26 114.55 1rjj h ALA 85 Ca -0.03 -0.43 0.48 0.00 0.00 0.00 0.00 54.91 54.94 1rjj h ALA 85 Cb 0.35 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1rjj h ALA 85 CO 0.03 0.53 1.17 0.35 0.00 0.00 0.00 179.25 181.32 1rjj h PHE 86 N 0.56 0.07 0.00 0.00 3.57 0.98 0.18 116.94 122.31 1rjj h PHE 86 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1rjj h PHE 86 Cb 0.92 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1rjj h PHE 86 CO 0.07 -0.02 -0.14 1.15 -2.23 0.00 0.00 178.31 177.13 1rjj h THR 87 N 0.02 0.00 -0.89 4.41 2.02 -0.98 -3.14 112.91 114.35 1rjj h THR 87 Ca 0.80 -0.90 0.26 0.00 0.77 0.00 0.00 66.41 67.34 1rjj h THR 87 Cb 3.12 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 1rjj h THR 87 CO -0.06 0.00 1.17 0.00 0.37 0.00 0.00 175.52 176.99 1rjj n ALA 88 N -2.96 0.85 -0.41 6.16 0.00 0.33 0.34 120.51 124.83 1rjj n ALA 88 Ca -0.02 0.29 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1rjj n ALA 88 Cb 0.08 -0.51 0.26 0.00 0.00 0.00 0.00 19.45 19.28 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 -3.09 1.30 -4.37 0.00 0.24 0.37 -4.95 118.33 107.82 1rjj n VAL 89 Ca 0.20 -1.12 -0.21 0.00 -2.04 0.00 0.00 64.34 61.17 1rjj n VAL 89 Cb 1.43 0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.35 1.93 -0.23 1.34 1.01 1.05 -4.27 121.20 120.68 1rjj s ILE 90 Ca 0.39 -2.18 0.11 0.00 0.00 0.00 0.00 60.65 58.97 1rjj s ILE 90 Cb 0.23 -2.05 -0.21 0.00 0.01 0.00 0.00 42.46 40.43 1rjj s ILE 90 CO 0.23 -0.48 -0.06 -0.67 0.00 0.00 0.00 174.94 173.96 1rjj n ASP 91 N -0.26 0.87 -3.77 3.58 -0.08 0.35 -4.73 116.55 112.51 1rjj n ASP 91 Ca -0.09 -0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.00 1rjj n ASP 91 Cb 0.59 0.39 -0.09 0.00 2.34 0.00 0.00 41.12 44.35 1rjj n ASP 91 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1rjj s LYS 92 N -2.50 0.59 -0.06 -0.67 -2.85 -1.21 -4.97 119.74 108.06 1rjj s LYS 92 Ca -0.21 -0.06 0.03 0.00 -1.00 0.00 0.00 55.97 54.73 1rjj s LYS 92 Cb 0.07 0.26 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1rjj s LYS 92 CO 0.73 -0.15 -0.12 -1.50 0.10 0.00 0.00 175.35 174.41 1rjj s ILE 93 N -0.98 1.12 -0.01 3.79 1.10 -1.26 -3.64 121.20 121.33 1rjj s ILE 93 Ca -0.10 -0.49 0.01 0.00 -0.51 0.00 0.00 60.65 59.56 1rjj s ILE 93 Cb -0.05 -1.01 -0.00 0.00 0.15 0.00 0.00 42.46 41.55 1rjj s ILE 93 CO 0.03 0.35 -0.04 0.68 -2.11 0.00 0.00 174.94 173.85 1rjj s VAL 94 N 0.53 0.30 -0.01 4.00 -7.23 -1.15 -5.02 120.40 111.83 1rjj s VAL 94 Ca -0.12 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1rjj s VAL 94 Cb -0.14 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.54 1rjj s VAL 94 CO 0.03 0.09 0.01 -0.76 -0.31 0.00 0.00 175.10 174.16 1rjj s LEU 95 N -0.00 1.57 -0.16 1.32 1.02 -1.26 -1.75 118.68 119.41 1rjj s LEU 95 Ca 0.01 0.00 0.01 0.00 0.02 0.00 0.00 54.13 54.17 1rjj s LEU 95 Cb -0.03 -0.07 0.01 0.00 0.02 0.00 0.00 46.19 46.12 1rjj s LEU 95 CO -0.00 -0.05 -0.18 -0.76 0.02 0.00 0.00 176.35 175.38 1rjj s LEU 96 N 0.50 2.31 -0.07 1.79 1.02 -0.12 -4.95 118.68 119.16 1rjj s LEU 96 Ca -0.04 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.59 1rjj s LEU 96 Cb -0.06 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.63 1rjj s LEU 96 CO -0.01 0.06 -0.17 -0.62 0.02 0.00 0.00 176.35 175.63 1rjj s ASP 97 N 0.95 2.26 -0.27 2.29 2.15 -1.26 -1.70 116.67 121.08 1rjj s ASP 97 Ca -0.03 -0.39 -0.24 0.00 0.43 0.00 0.00 52.55 52.32 1rjj s ASP 97 Cb -0.15 -0.95 0.08 0.00 -0.30 0.00 0.00 42.92 41.60 1rjj s ASP 97 CO -0.03 0.10 0.75 0.12 -0.17 0.00 0.00 175.17 175.94 1rjj s PHE 98 N 0.43 -0.79 -0.36 -5.34 5.36 -1.04 -5.02 117.98 111.22 1rjj s PHE 98 Ca -0.14 1.87 -0.43 0.00 -0.96 0.00 0.00 56.93 57.27 1rjj s PHE 98 Cb -0.16 0.32 -0.17 0.00 -0.34 0.00 0.00 43.02 42.67 1rjj s PHE 98 CO 0.05 -0.38 1.68 -2.30 -1.46 0.00 0.00 175.22 172.81 1rjj n PRO 99 N 2.84 0.70 -4.85 10.12 -0.02 -1.26 -3.31 135.00 139.22 1rjj n PRO 99 Ca -0.15 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1rjj n PRO 99 Cb 0.56 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.26 1.94 -0.05 -1.45 1.01 -1.09 -4.90 120.40 119.13 1rjj s VAL 100 Ca 1.01 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1rjj s VAL 100 Cb -1.24 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1rjj s VAL 100 CO 0.72 0.33 -0.01 0.00 0.00 0.00 0.00 175.10 176.14 1rjj s ALA 101 N -0.77 0.56 -1.37 5.51 0.00 -1.26 -1.38 121.76 123.04 1rjj s ALA 101 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1rjj s ALA 101 Cb -0.09 -0.52 0.08 0.00 0.00 0.00 0.00 23.12 22.58 1rjj s ALA 101 CO 0.02 -0.21 1.98 0.00 0.00 0.00 0.00 175.76 177.55 1rjj n ALA 102 N 4.53 4.84 -3.34 0.00 0.00 -1.26 -4.78 120.51 120.50 1rjj n ALA 102 Ca -0.18 -3.96 -0.12 0.00 0.00 0.00 0.00 53.44 49.18 1rjj n ALA 102 Cb 0.50 -3.44 -0.07 0.00 0.00 0.00 0.00 19.45 16.44 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 2.96 -0.53 0.00 0.00 -7.23 -1.26 -5.09 120.40 109.25 1rjj s VAL 103 Ca 0.48 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1rjj s VAL 103 Cb 0.09 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.13 1rjj s VAL 103 CO -0.02 -0.38 0.00 0.29 -0.31 0.00 0.00 175.10 174.68 1rjj n LYS 104 N 5.12 0.00 0.00 4.82 4.76 -1.26 -4.89 118.16 126.71 1rjj n LYS 104 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1rjj n LYS 104 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 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 -4.66 4.39 7.64 -1.26 -4.88 113.62 114.85 1rjj n SER 105 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1rjj n SER 105 Cb 0.00 -0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.23 -4.05 6.43 2.88 -1.26 -4.98 113.62 114.86 1rjj n SER 106 Ca 0.00 1.20 -0.21 0.00 -1.33 0.00 0.00 58.87 58.53 1rjj n SER 106 Cb 0.00 -1.41 -0.15 0.00 -0.75 0.00 0.00 64.21 61.90 1rjj n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rjj s VAL 107 N -1.03 0.93 0.00 2.46 0.11 -1.26 -5.03 120.40 116.57 1rjj s VAL 107 Ca 0.57 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1rjj s VAL 107 Cb -0.62 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1rjj s VAL 107 CO 0.61 0.27 0.00 0.55 -3.33 0.00 0.00 175.10 173.20 1rjj n VAL 108 N 2.97 0.00 -2.76 2.04 3.14 -1.26 -5.11 118.33 117.34 1rjj n VAL 108 Ca -0.15 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.80 1rjj n VAL 108 Cb 0.55 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.30 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj s ALA 109 N 0.00 3.20 -0.44 1.55 0.00 -1.26 -4.92 121.76 119.88 1rjj s ALA 109 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1rjj s ALA 109 Cb 0.00 -3.73 0.25 0.00 0.00 0.00 0.00 23.12 19.64 1rjj s ALA 109 CO 0.00 -2.17 0.56 2.41 0.00 0.00 0.00 175.76 176.56 1rjj n THR 110 N 6.51 -0.07 1.95 0.00 -1.04 -1.26 -5.37 114.28 114.99 1rjj n THR 110 Ca 0.07 -4.25 0.16 0.00 -2.04 0.00 0.00 64.05 57.98 1rjj n THR 110 Cb 0.49 -1.99 0.90 0.00 -1.82 0.00 0.00 70.33 67.91 1rjj n THR 110 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62