#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 -2.40 0.78 3.04 0.00 -1.26 -4.88 120.51 115.78 1rjj n ALA 2 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1rjj n ALA 2 Cb 0.00 -4.06 -0.08 0.00 0.00 0.00 0.00 19.45 15.32 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 -3.95 0.02 0.00 0.00 5.66 -1.26 -4.82 114.28 109.93 1rjj n THR 3 Ca -0.14 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1rjj n THR 3 Cb 0.62 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 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 -1.69 0.00 -0.89 1.09 7.64 -1.25 -4.93 113.62 113.59 1rjj n SER 4 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1rjj n SER 4 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 2.87 2.92 3.37 0.23 0.00 -1.18 -4.86 105.19 108.54 1rjj n GLY 5 Ca 0.00 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -5.79 2.79 -0.20 1.61 0.08 -0.59 -2.70 117.98 113.19 1rjj s PHE 6 Ca 0.00 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.33 1rjj s PHE 6 Cb 0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 1rjj s PHE 6 CO 0.00 -0.19 0.11 0.21 -0.10 0.00 0.00 175.22 175.25 1rjj s LYS 7 N 0.26 4.12 -0.17 0.44 2.20 -1.23 -0.57 119.74 124.80 1rjj s LYS 7 Ca -0.10 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1rjj s LYS 7 Cb -0.16 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1rjj s LYS 7 CO 0.06 0.28 -0.18 -1.01 -0.36 0.00 0.00 175.35 174.13 1rjj s HIS 8 N 0.41 2.57 0.00 4.03 3.76 0.69 -2.74 115.29 124.00 1rjj s HIS 8 Ca 0.07 -1.51 0.03 0.00 -0.15 0.00 0.00 55.06 53.50 1rjj s HIS 8 Cb -0.12 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1rjj s HIS 8 CO -0.01 -0.76 -0.10 -1.17 -0.85 0.00 0.00 174.74 171.85 1rjj s LEU 9 N 1.36 2.06 -0.03 0.89 0.20 -0.77 0.28 118.68 122.67 1rjj s LEU 9 Ca 0.05 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.66 1rjj s LEU 9 Cb -0.13 -0.48 -0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1rjj s LEU 9 CO -0.12 0.08 -0.13 0.54 -0.29 0.00 0.00 176.35 176.43 1rjj s VAL 10 N -0.40 1.08 -0.13 1.68 0.11 -0.62 -0.56 120.40 121.56 1rjj s VAL 10 Ca 0.02 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1rjj s VAL 10 Cb -0.05 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1rjj s VAL 10 CO -0.00 0.32 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.30 1rjj s VAL 11 N 0.07 3.36 0.02 2.04 1.01 -0.72 -2.02 120.40 124.16 1rjj s VAL 11 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1rjj s VAL 11 Cb -0.09 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1rjj s VAL 11 CO 0.01 0.52 -0.04 0.68 0.00 0.00 0.00 175.10 176.27 1rjj s VAL 12 N 0.24 0.19 0.14 2.92 -7.23 -0.91 -3.07 120.40 112.66 1rjj s VAL 12 Ca -0.07 -0.96 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 1rjj s VAL 12 Cb -0.15 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1rjj s VAL 12 CO 0.04 -0.49 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.65 1rjj s LYS 13 N -1.54 1.11 0.21 4.82 1.02 -1.22 -2.71 119.74 121.44 1rjj s LYS 13 Ca -0.14 -1.29 0.09 0.00 0.02 0.00 0.00 55.97 54.64 1rjj s LYS 13 Cb -0.10 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1rjj s LYS 13 CO -0.01 0.21 -0.04 -0.59 -0.92 0.00 0.00 175.35 174.00 1rjj s PHE 14 N -2.09 2.71 0.00 3.18 -0.12 -1.26 -1.11 117.98 119.28 1rjj s PHE 14 Ca 0.11 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1rjj s PHE 14 Cb -0.05 -1.27 0.00 0.00 -0.63 0.00 0.00 43.02 41.07 1rjj s PHE 14 CO 0.04 0.56 0.00 0.36 -0.05 0.00 0.00 175.22 176.13 1rjj n LYS 15 N -0.39 2.94 -0.10 1.99 2.85 -1.26 -4.81 118.16 119.38 1rjj n LYS 15 Ca -0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.00 1rjj n LYS 15 Cb 0.57 -0.70 -0.08 0.00 -0.65 0.00 0.00 35.03 34.17 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 -0.76 0.53 0.00 -1.58 1.02 -1.26 -5.00 120.64 113.59 1rjj n GLU 16 Ca 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1rjj n GLU 16 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 -4.46 0.00 -4.53 1.62 2.03 -1.26 -5.09 116.55 104.85 1rjj n ASP 17 Ca -0.27 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.56 1rjj n ASP 17 Cb 0.58 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.30 -2.27 5.18 -1.04 -1.26 -4.83 114.28 110.35 1rjj n THR 18 Ca 0.00 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.39 1rjj n THR 18 Cb 0.00 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 66.55 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 5.84 3.04 0.19 -2.82 0.00 -1.26 -4.76 119.74 119.97 1rjj s LYS 19 Ca 1.04 -0.96 -0.11 0.00 0.00 0.00 0.00 55.97 55.94 1rjj s LYS 19 Cb -0.70 -5.25 0.12 0.00 0.00 0.00 0.00 37.83 32.00 1rjj s LYS 19 CO 0.46 -3.03 1.81 -0.39 0.00 0.00 0.00 175.35 174.20 1rjj h VAL 20 N 6.64 1.21 -0.38 1.79 -1.51 -1.97 0.25 116.25 122.28 1rjj h VAL 20 Ca 0.20 -0.52 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 1rjj h VAL 20 Cb 0.97 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 1rjj h VAL 20 CO 1.31 0.23 0.14 0.44 -1.23 0.00 0.00 177.57 178.46 1rjj h ASP 21 N 0.92 0.54 0.08 4.19 3.32 -1.97 2.83 116.42 126.33 1rjj h ASP 21 Ca 0.24 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1rjj h ASP 21 Cb 0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1rjj h ASP 21 CO -0.04 0.57 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.60 1rjj h GLU 22 N 0.47 0.40 -0.40 3.56 4.81 -1.91 0.18 114.58 121.69 1rjj h GLU 22 Ca 0.13 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1rjj h GLU 22 Cb 0.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1rjj h GLU 22 CO -0.01 0.72 -0.15 0.82 -0.73 0.00 0.00 179.01 179.66 1rjj h ILE 23 N 0.33 1.28 -0.95 2.32 1.08 0.13 -2.15 117.51 119.55 1rjj h ILE 23 Ca 0.03 -1.27 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 1rjj h ILE 23 Cb 0.81 1.25 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 1rjj h ILE 23 CO 0.07 0.43 0.63 0.25 -0.69 0.00 0.00 178.15 178.83 1rjj h LEU 24 N 0.63 1.04 -1.37 1.44 5.85 0.58 0.15 115.31 123.63 1rjj h LEU 24 Ca 0.10 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1rjj h LEU 24 Cb 0.69 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1rjj h LEU 24 CO 0.05 0.72 0.27 0.50 -0.34 0.00 0.00 178.44 179.65 1rjj h LYS 25 N 1.22 0.70 0.27 1.25 3.64 -0.16 -1.82 116.57 121.68 1rjj h LYS 25 Ca 0.37 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1rjj h LYS 25 Cb -0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1rjj h LYS 25 CO -0.11 0.53 -0.13 0.78 -2.27 0.00 0.00 179.45 178.25 1rjj h GLY 26 N 0.79 -0.38 -0.59 5.01 0.00 -0.17 -2.37 103.07 105.36 1rjj h GLY 26 Ca 0.18 0.14 0.31 0.00 0.00 0.00 0.00 47.33 47.96 1rjj h GLY 26 CO -0.03 -0.14 0.46 -2.00 0.00 0.00 0.00 176.54 174.83 1rjj h LEU 27 N -0.54 0.31 -1.09 3.11 6.46 -0.28 2.66 115.31 125.94 1rjj h LEU 27 Ca -0.04 0.21 0.18 0.00 -0.12 0.00 0.00 57.88 58.11 1rjj h LEU 27 Cb 0.40 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.44 1rjj h LEU 27 CO 0.06 -0.19 0.61 -0.33 -0.62 0.00 0.00 178.44 177.98 1rjj h GLU 28 N 0.24 0.73 -0.43 1.25 5.08 -0.84 0.68 114.58 121.28 1rjj h GLU 28 Ca 0.70 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.99 1rjj h GLU 28 Cb 1.59 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1rjj h GLU 28 CO -0.66 0.48 0.16 -2.95 -1.00 0.00 0.00 179.01 175.04 1rjj h ASN 29 N 0.75 0.61 -0.70 1.42 7.08 0.47 -2.30 115.58 122.90 1rjj h ASN 29 Ca 0.55 -0.19 0.15 0.00 -3.08 0.00 0.00 56.30 53.73 1rjj h ASN 29 Cb 0.87 -0.16 -0.12 0.00 -2.08 0.00 0.00 38.32 36.83 1rjj h ASN 29 CO -0.33 0.63 -0.04 0.25 -2.08 0.00 0.00 177.43 175.86 1rjj h LEU 30 N 0.55 -0.41 -2.17 6.14 7.12 0.12 1.54 115.31 128.21 1rjj h LEU 30 Ca 0.14 0.19 0.06 0.00 0.13 0.00 0.00 57.88 58.40 1rjj h LEU 30 Cb 0.22 0.35 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1rjj h LEU 30 CO -0.01 -0.18 0.27 0.58 -0.13 0.00 0.00 178.44 178.98 1rjj h VAL 31 N 0.08 0.37 -0.94 1.05 2.07 -0.61 -1.30 116.25 116.96 1rjj h VAL 31 Ca 0.37 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.17 1rjj h VAL 31 Cb 0.61 0.77 -0.16 0.00 -1.52 0.00 0.00 31.29 31.00 1rjj h VAL 31 CO -0.64 0.00 0.30 -1.28 0.02 0.00 0.00 177.57 175.97 1rjj h SER 32 N 0.00 0.04 0.55 0.57 0.87 0.23 1.20 113.55 117.02 1rjj h SER 32 Ca 0.10 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1rjj h SER 32 Cb 0.65 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1rjj h SER 32 CO -0.00 -0.24 -0.46 0.00 -0.53 0.00 0.00 176.83 175.61 1rjj n GLN 33 N -5.25 0.00 -0.75 2.24 10.64 -0.49 -4.01 117.38 119.75 1rjj n GLN 33 Ca 0.26 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.30 1rjj n GLN 33 Cb 0.85 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.85 1rjj n GLN 33 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1rjj n ILE 34 N -1.51 2.33 0.00 -0.39 5.41 0.41 -4.20 119.36 121.41 1rjj n ILE 34 Ca 0.06 -1.17 0.00 0.00 1.00 0.00 0.00 62.75 62.63 1rjj n ILE 34 Cb 0.34 -0.64 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 -0.45 0.00 0.01 4.38 8.00 -1.18 0.21 116.55 127.51 1rjj n ASP 35 Ca 0.36 0.40 0.06 0.00 0.71 0.00 0.00 54.79 56.32 1rjj n ASP 35 Cb 1.20 -0.40 0.25 0.00 -0.02 0.00 0.00 41.12 42.15 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 -1.40 1.23 -2.93 -3.53 -2.24 -1.26 -4.80 114.28 99.36 1rjj n THR 36 Ca 0.00 0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.93 1rjj n THR 36 Cb 0.00 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.07 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 -1.54 0.00 -2.14 2.28 0.24 0.13 -4.68 118.33 112.62 1rjj n VAL 37 Ca 0.03 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.06 1rjj n VAL 37 Cb 0.13 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.56 3.47 -3.91 7.34 5.02 -1.26 -5.02 118.16 121.24 1rjj n LYS 38 Ca 0.05 -4.22 0.02 0.00 -2.02 0.00 0.00 58.31 52.14 1rjj n LYS 38 Cb 0.36 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.11 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 -3.39 -0.01 0.05 4.39 0.15 -1.26 -1.30 113.70 112.34 1rjj s SER 39 Ca 0.51 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.85 1rjj s SER 39 Cb 0.41 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1rjj s SER 39 CO -0.06 -0.31 0.23 0.12 1.20 0.00 0.00 173.24 174.42 1rjj s PHE 40 N -2.10 0.03 -0.22 3.44 5.36 0.16 -4.94 117.98 119.71 1rjj s PHE 40 Ca 0.26 -0.28 -0.09 0.00 -0.96 0.00 0.00 56.93 55.86 1rjj s PHE 40 Cb 0.01 0.01 0.09 0.00 -0.34 0.00 0.00 43.02 42.78 1rjj s PHE 40 CO -0.01 -0.48 0.49 -1.21 -1.46 0.00 0.00 175.22 172.54 1rjj s GLU 41 N -2.90 0.44 0.32 10.12 2.02 -1.25 -0.87 118.70 126.57 1rjj s GLU 41 Ca -0.02 1.06 0.04 0.00 0.02 0.00 0.00 54.97 56.07 1rjj s GLU 41 Cb 0.00 0.30 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 1rjj s GLU 41 CO -0.06 -0.20 0.04 1.67 0.02 0.00 0.00 175.26 176.73 1rjj s TRP 42 N 2.20 1.99 -0.17 1.61 1.48 -1.22 -4.95 118.94 119.87 1rjj s TRP 42 Ca -0.06 -0.90 -0.15 0.00 -1.06 0.00 0.00 56.10 53.93 1rjj s TRP 42 Cb -0.10 -1.28 0.05 0.00 -1.16 0.00 0.00 33.47 30.97 1rjj s TRP 42 CO -0.15 0.07 0.45 0.20 -4.06 0.00 0.00 176.95 173.46 1rjj s GLY 43 N -3.49 -0.34 0.39 3.67 0.00 -1.26 -2.88 107.32 103.41 1rjj s GLY 43 Ca 0.35 1.32 0.04 0.00 0.00 0.00 0.00 44.72 46.44 1rjj s GLY 43 CO 0.15 1.19 0.05 -0.54 0.00 0.00 0.00 173.10 173.95 1rjj s GLU 44 N 0.42 1.87 -0.33 2.90 8.01 -1.18 -4.96 118.70 125.42 1rjj s GLU 44 Ca -0.02 -2.09 -0.01 0.00 0.01 0.00 0.00 54.97 52.86 1rjj s GLU 44 Cb -0.04 -1.14 0.19 0.00 -4.31 0.00 0.00 34.13 28.83 1rjj s GLU 44 CO -0.02 -0.23 0.83 0.34 0.01 0.00 0.00 175.26 176.20 1rjj s ASP 45 N -3.63 -0.98 0.65 -0.19 -1.08 -1.25 -2.99 116.67 107.19 1rjj s ASP 45 Ca 0.29 -0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 52.08 1rjj s ASP 45 Cb 0.07 1.42 0.06 0.00 -1.46 0.00 0.00 42.92 43.01 1rjj s ASP 45 CO 0.14 -0.14 0.92 -1.59 0.52 0.00 0.00 175.17 175.02 1rjj s LYS 46 N 2.36 2.25 -0.34 4.34 0.00 -1.24 -4.98 119.74 122.13 1rjj s LYS 46 Ca 0.17 -0.56 -0.06 0.00 0.00 0.00 0.00 55.97 55.52 1rjj s LYS 46 Cb -0.03 -2.31 0.19 0.00 0.00 0.00 0.00 37.83 35.68 1rjj s LYS 46 CO -0.17 -1.07 0.97 -1.21 0.00 0.00 0.00 175.35 173.87 1rjj s GLU 47 N -5.05 0.29 0.00 1.78 2.02 -1.26 -4.81 118.70 111.67 1rjj s GLU 47 Ca 0.60 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1rjj s GLU 47 Cb -0.10 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.17 1rjj s GLU 47 CO 0.42 -0.43 0.00 0.45 0.02 0.00 0.00 175.26 175.72 1rjj n SER 48 N 3.87 0.00 -2.24 -0.19 2.88 -1.26 -5.07 113.62 111.61 1rjj n SER 48 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1rjj n SER 48 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.84 -4.52 -0.27 0.66 8.25 -1.26 -2.97 115.22 114.27 1rjj n HIS 49 Ca 0.00 2.70 0.05 0.00 -0.26 0.00 0.00 57.72 60.21 1rjj n HIS 49 Cb 0.00 -3.54 0.19 0.00 1.12 0.00 0.00 29.99 27.77 1rjj n HIS 49 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1rjj h ASP 50 N 4.32 0.44 -0.36 0.41 2.03 -2.01 1.27 116.42 122.52 1rjj h ASP 50 Ca 0.00 0.09 -0.03 0.00 -0.73 0.00 0.00 57.03 56.36 1rjj h ASP 50 Cb 0.00 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.50 1rjj h ASP 50 CO 0.00 0.20 0.13 -0.03 -1.03 0.00 0.00 179.24 178.51 1rjj h MET 51 N 0.57 0.62 0.00 4.15 4.05 -2.02 -2.14 114.93 120.15 1rjj h MET 51 Ca 0.42 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 1rjj h MET 51 Cb 0.58 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1rjj h MET 51 CO -0.35 0.54 -0.91 -0.07 0.23 0.00 0.00 176.91 176.35 1rjj h LEU 52 N 0.61 0.00 -3.45 3.39 3.38 -1.28 -3.36 115.31 114.61 1rjj h LEU 52 Ca 0.14 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1rjj h LEU 52 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1rjj h LEU 52 CO -0.01 0.00 0.10 -1.14 0.09 0.00 0.00 178.44 177.48 1rjj n ARG 53 N -2.72 1.53 0.05 1.13 0.63 0.42 -4.65 116.66 113.05 1rjj n ARG 53 Ca 0.00 -0.85 0.00 0.00 -0.92 0.00 0.00 57.85 56.09 1rjj n ARG 53 Cb 0.55 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 32.01 1rjj n ARG 53 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1rjj n GLN 54 N 1.26 0.00 0.00 -0.14 7.27 -1.24 -4.54 117.38 119.99 1rjj n GLN 54 Ca 0.20 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1rjj n GLN 54 Cb 0.60 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 32.02 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rjj n GLY 55 N -0.70 2.75 3.53 1.69 0.00 -1.26 -5.02 105.19 106.17 1rjj n GLY 55 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.38 -0.01 1.61 -1.74 -1.26 -4.78 117.46 112.66 1rjj n PHE 56 Ca 0.00 0.15 0.02 0.00 -0.56 0.00 0.00 57.45 57.06 1rjj n PHE 56 Cb 0.00 -2.59 0.35 0.00 1.52 0.00 0.00 39.48 38.75 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 7.59 1.16 -1.41 1.97 1.35 -1.86 -3.39 112.91 118.31 1rjj h THR 57 Ca -0.24 -0.50 0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1rjj h THR 57 Cb 1.28 0.70 -0.24 0.00 -1.73 0.00 0.00 68.15 68.15 1rjj h THR 57 CO 1.15 0.19 0.66 -1.38 -0.25 0.00 0.00 175.52 175.90 1rjj s HIS 58 N -5.25 -0.27 0.23 4.73 -3.43 -1.10 -3.72 115.29 106.47 1rjj s HIS 58 Ca -0.08 0.47 -0.04 0.00 -0.80 0.00 0.00 55.06 54.61 1rjj s HIS 58 Cb 0.16 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1rjj s HIS 58 CO 0.75 -0.25 0.24 0.00 -2.00 0.00 0.00 174.74 173.48 1rjj s ALA 59 N -1.07 0.83 -0.01 -1.38 0.00 -1.16 -2.15 121.76 116.82 1rjj s ALA 59 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rjj s ALA 59 Cb -0.01 1.30 0.01 0.00 0.00 0.00 0.00 23.12 24.43 1rjj s ALA 59 CO -0.01 -0.67 -0.00 -0.06 0.00 0.00 0.00 175.76 175.01 1rjj s PHE 60 N -4.04 0.18 -0.36 0.00 0.08 -0.85 -3.13 117.98 109.85 1rjj s PHE 60 Ca 0.35 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.36 1rjj s PHE 60 Cb 0.04 -0.22 0.07 0.00 -0.57 0.00 0.00 43.02 42.34 1rjj s PHE 60 CO 0.12 -0.06 0.14 0.45 -0.10 0.00 0.00 175.22 175.77 1rjj s SER 61 N 0.50 5.26 -0.27 1.36 0.15 -1.14 -1.59 113.70 117.97 1rjj s SER 61 Ca -0.05 -1.49 -0.15 0.00 0.70 0.00 0.00 55.95 54.97 1rjj s SER 61 Cb -0.07 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1rjj s SER 61 CO -0.01 -0.41 0.37 -0.04 1.20 0.00 0.00 173.24 174.35 1rjj s MET 62 N 1.30 4.02 -0.01 5.44 -1.94 0.81 -3.44 119.30 125.48 1rjj s MET 62 Ca 0.01 0.04 0.06 0.00 -1.71 0.00 0.00 55.69 54.09 1rjj s MET 62 Cb -0.21 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 1rjj s MET 62 CO -0.00 -0.28 -0.19 0.99 -0.01 0.00 0.00 175.02 175.53 1rjj s THR 63 N 2.07 2.67 0.16 2.05 2.01 -0.05 0.25 115.64 124.80 1rjj s THR 63 Ca 0.15 -1.00 0.11 0.00 0.31 0.00 0.00 61.69 61.26 1rjj s THR 63 Cb -0.16 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1rjj s THR 63 CO 0.10 0.50 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.93 1rjj s PHE 64 N -0.76 2.18 -0.18 4.92 0.08 0.27 0.40 117.98 124.89 1rjj s PHE 64 Ca 0.12 -0.39 0.18 0.00 0.12 0.00 0.00 56.93 56.96 1rjj s PHE 64 Cb -0.10 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 1rjj s PHE 64 CO 0.02 0.39 1.12 1.49 -0.10 0.00 0.00 175.22 178.13 1rjj h GLU 65 N 3.54 0.00 -2.75 0.44 4.81 -1.53 -1.56 114.58 117.52 1rjj h GLU 65 Ca -0.47 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.83 1rjj h GLU 65 Cb 1.19 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 1rjj h GLU 65 CO 0.44 0.27 0.32 0.54 -0.73 0.00 0.00 179.01 179.85 1rjj s ASN 66 N -5.93 -0.34 0.46 1.04 6.03 -1.26 -4.80 114.94 110.14 1rjj s ASN 66 Ca 0.00 -0.31 0.24 0.00 -1.03 0.00 0.00 52.86 51.76 1rjj s ASN 66 Cb 0.08 0.59 1.06 0.00 -3.03 0.00 0.00 41.25 39.96 1rjj s ASN 66 CO 0.78 -1.05 1.90 0.11 -2.03 0.00 0.00 177.10 176.81 1rjj h LYS 67 N 2.00 0.00 -0.76 3.55 1.57 -1.97 -3.13 116.57 117.82 1rjj h LYS 67 Ca -0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1rjj h LYS 67 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1rjj h LYS 67 CO 0.29 0.22 0.31 -0.44 -0.57 0.00 0.00 179.45 179.26 1rjj h ASP 68 N 0.00 1.05 0.31 0.86 3.32 -1.99 -0.88 116.42 119.09 1rjj h ASP 68 Ca -0.00 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.73 1rjj h ASP 68 Cb 0.62 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1rjj h ASP 68 CO 0.03 0.93 -0.62 1.23 -1.72 0.00 0.00 179.24 179.09 1rjj h GLY 69 N 1.10 0.32 0.97 2.75 0.00 -1.88 -2.59 103.07 103.75 1rjj h GLY 69 Ca 0.26 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1rjj h GLY 69 CO -0.02 0.36 -0.01 -1.82 0.00 0.00 0.00 176.54 175.05 1rjj h TYR 70 N 0.22 0.83 0.00 5.60 3.20 -1.40 -1.89 116.97 123.53 1rjj h TYR 70 Ca -0.01 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.61 1rjj h TYR 70 Cb 1.13 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1rjj h TYR 70 CO 0.03 0.83 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.50 1rjj h VAL 71 N 0.60 1.24 0.69 1.81 -1.51 -1.16 -2.95 116.25 114.96 1rjj h VAL 71 Ca 0.12 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.84 1rjj h VAL 71 Cb 0.50 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.62 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 -0.79 5.19 0.00 -1.12 0.15 119.26 123.22 1rjj h ALA 72 Ca -0.00 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1rjj h ALA 72 Cb 0.91 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1rjj h ALA 72 CO 0.06 -0.93 0.52 0.74 0.00 0.00 0.00 179.25 179.64 1rjj h PHE 73 N -1.16 0.63 0.00 0.00 0.04 -1.38 -1.86 116.94 113.20 1rjj h PHE 73 Ca -0.10 0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.47 1rjj h PHE 73 Cb 0.71 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 1rjj h PHE 73 CO 0.02 0.25 -1.30 0.00 -0.60 0.00 0.00 178.31 176.68 1rjj h THR 74 N 0.55 1.11 -0.29 -1.55 1.03 -1.48 -3.34 112.91 108.94 1rjj h THR 74 Ca 0.38 -2.81 -0.08 0.00 -0.01 0.00 0.00 66.41 63.89 1rjj h THR 74 Cb 0.72 2.52 -0.02 0.00 -1.07 0.00 0.00 68.15 70.30 1rjj h THR 74 CO -0.14 0.63 -0.17 0.28 -0.01 0.00 0.00 175.52 176.11 1rjj h SER 75 N 0.00 0.50 -4.13 0.00 0.02 0.15 -3.42 113.55 106.67 1rjj h SER 75 Ca -0.14 -0.14 -0.55 0.00 -0.84 0.00 0.00 61.79 60.12 1rjj h SER 75 Cb 1.81 -0.13 0.15 0.00 0.14 0.00 0.00 62.40 64.37 1rjj h SER 75 CO 0.09 0.68 0.47 -1.00 -1.14 0.00 0.00 176.83 175.93 1rjj s HIS 76 N -4.66 2.08 -1.22 3.45 3.76 -1.07 -4.86 115.29 112.76 1rjj s HIS 76 Ca -0.07 1.53 0.12 0.00 -0.15 0.00 0.00 55.06 56.49 1rjj s HIS 76 Cb 0.14 -3.60 0.56 0.00 1.11 0.00 0.00 32.58 30.79 1rjj s HIS 76 CO 0.78 -2.77 1.34 -0.35 -0.85 0.00 0.00 174.74 172.89 1rjj n PRO 77 N -2.19 0.09 0.12 8.40 -0.04 -1.26 -2.76 135.00 137.36 1rjj n PRO 77 Ca 0.15 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1rjj n PRO 77 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.13 1.53 6.46 -1.89 -3.14 115.31 118.40 1rjj h LEU 78 Ca 0.00 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.47 1rjj h LEU 78 Cb 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1rjj h LEU 78 CO 0.00 0.67 -1.37 -0.74 -0.62 0.00 0.00 178.44 176.38 1rjj h HIS 79 N 0.00 0.51 0.34 1.25 2.76 -1.71 -2.86 115.15 115.43 1rjj h HIS 79 Ca -0.01 -0.37 -0.02 0.00 -2.20 0.00 0.00 60.37 57.78 1rjj h HIS 79 Cb 1.37 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1rjj h HIS 79 CO 0.00 1.34 -0.16 -0.24 -1.30 0.00 0.00 177.93 177.56 1rjj h VAL 80 N 0.08 0.46 -0.83 5.26 3.04 -1.70 -1.78 116.25 120.78 1rjj h VAL 80 Ca -0.18 -0.74 0.05 0.00 -1.01 0.00 0.00 66.70 64.82 1rjj h VAL 80 Cb 2.00 0.73 -0.05 0.00 -2.01 0.00 0.00 31.29 31.95 1rjj h VAL 80 CO 0.19 0.10 0.52 -0.08 -1.01 0.00 0.00 177.57 177.30 1rjj h GLU 81 N -0.96 0.96 -0.74 4.17 4.81 -1.71 -1.63 114.58 119.48 1rjj h GLU 81 Ca -0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1rjj h GLU 81 Cb 0.51 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1rjj h GLU 81 CO 0.08 0.64 0.48 0.35 -0.73 0.00 0.00 179.01 179.82 1rjj h PHE 82 N 0.99 0.90 -0.04 0.92 3.57 -1.52 -1.69 116.94 120.07 1rjj h PHE 82 Ca 0.35 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 1rjj h PHE 82 Cb 0.08 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1rjj h PHE 82 CO -0.03 0.53 -0.27 0.66 -2.23 0.00 0.00 178.31 176.98 1rjj h SER 83 N 0.95 0.07 0.48 0.41 4.64 -0.43 0.21 113.55 119.88 1rjj h SER 83 Ca 0.29 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1rjj h SER 83 Cb -0.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1rjj h SER 83 CO -0.09 0.34 -0.23 0.00 -0.87 0.00 0.00 176.83 175.98 1rjj h ALA 84 N 1.67 -0.65 -0.55 5.18 0.00 -0.49 -2.64 119.26 121.79 1rjj h ALA 84 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1rjj h ALA 84 Cb 0.51 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1rjj h ALA 84 CO 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 179.25 178.41 1rjj h ALA 85 N -0.26 0.84 -0.73 0.00 0.00 -1.37 -1.66 119.26 116.08 1rjj h ALA 85 Ca -0.07 -0.33 0.21 0.00 0.00 0.00 0.00 54.91 54.73 1rjj h ALA 85 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1rjj h ALA 85 CO 0.11 0.66 0.84 0.35 0.00 0.00 0.00 179.25 181.21 1rjj h PHE 86 N 0.90 0.00 0.00 0.00 3.57 -0.35 0.16 116.94 121.23 1rjj h PHE 86 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1rjj h PHE 86 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1rjj h PHE 86 CO 0.04 0.00 -0.11 1.15 -2.23 0.00 0.00 178.31 177.16 1rjj h THR 87 N 0.00 0.00 -1.59 4.41 2.02 -0.95 -3.21 112.91 113.59 1rjj h THR 87 Ca 0.35 -0.64 0.50 0.00 0.77 0.00 0.00 66.41 67.39 1rjj h THR 87 Cb 2.02 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 68.32 1rjj h THR 87 CO -0.00 0.00 1.09 0.00 0.37 0.00 0.00 175.52 176.98 1rjj h ALA 88 N -1.36 3.23 -0.42 6.16 0.00 -0.92 2.54 119.26 128.49 1rjj h ALA 88 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rjj h ALA 88 Cb 0.11 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rjj h ALA 88 CO 0.00 -1.85 0.00 1.33 0.00 0.00 0.00 179.25 178.73 1rjj n VAL 89 N -4.39 1.18 -4.29 0.00 0.24 0.39 -4.91 118.33 106.56 1rjj n VAL 89 Ca 0.41 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.34 61.79 1rjj n VAL 89 Cb 1.70 -0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.73 0.96 -0.07 1.34 -1.09 0.85 -4.60 121.20 116.86 1rjj s ILE 90 Ca 0.33 -2.02 0.04 0.00 -2.23 0.00 0.00 60.65 56.76 1rjj s ILE 90 Cb 0.21 -2.17 -0.07 0.00 -1.58 0.00 0.00 42.46 38.86 1rjj s ILE 90 CO 0.16 -0.46 -0.01 -0.67 -1.23 0.00 0.00 174.94 172.72 1rjj n ASP 91 N -0.32 3.44 -3.93 3.58 2.03 -0.27 -4.83 116.55 116.26 1rjj n ASP 91 Ca -0.07 -0.02 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 1rjj n ASP 91 Cb 0.63 0.36 -0.16 0.00 -0.72 0.00 0.00 41.12 41.23 1rjj n ASP 91 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1rjj s LYS 92 N -2.15 1.06 -0.06 -0.67 2.20 -1.17 -4.98 119.74 113.96 1rjj s LYS 92 Ca -0.06 -0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1rjj s LYS 92 Cb 0.02 -0.99 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 1rjj s LYS 92 CO 0.23 -0.06 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.54 1rjj s ILE 93 N 0.86 1.13 -0.02 5.43 1.10 -1.26 -3.38 121.20 125.06 1rjj s ILE 93 Ca -0.12 -0.48 -0.10 0.00 -0.51 0.00 0.00 60.65 59.44 1rjj s ILE 93 Cb -0.15 -1.03 0.01 0.00 0.15 0.00 0.00 42.46 41.45 1rjj s ILE 93 CO 0.01 0.35 0.22 0.54 -2.11 0.00 0.00 174.94 173.95 1rjj s VAL 94 N 0.62 0.06 -0.04 4.00 0.11 -1.17 -5.01 120.40 118.96 1rjj s VAL 94 Ca -0.14 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1rjj s VAL 94 Cb -0.15 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1rjj s VAL 94 CO 0.04 -0.26 -0.03 -0.76 -3.33 0.00 0.00 175.10 170.76 1rjj s LEU 95 N -1.08 1.27 -0.22 2.54 1.02 -1.26 -1.76 118.68 119.19 1rjj s LEU 95 Ca -0.12 -0.08 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 1rjj s LEU 95 Cb -0.06 -0.35 -0.00 0.00 0.02 0.00 0.00 46.19 45.80 1rjj s LEU 95 CO 0.02 -0.07 -0.05 -0.76 0.02 0.00 0.00 176.35 175.51 1rjj s LEU 96 N 0.94 2.87 -0.04 1.79 1.02 0.28 -4.95 118.68 120.60 1rjj s LEU 96 Ca -0.11 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 53.63 1rjj s LEU 96 Cb -0.14 -1.72 -0.00 0.00 0.02 0.00 0.00 46.19 44.35 1rjj s LEU 96 CO -0.01 -0.03 -0.14 -0.62 0.02 0.00 0.00 176.35 175.57 1rjj s ASP 97 N 1.45 1.80 -0.27 2.29 2.15 -1.26 -1.84 116.67 121.00 1rjj s ASP 97 Ca 0.05 -0.29 -0.25 0.00 0.43 0.00 0.00 52.55 52.49 1rjj s ASP 97 Cb -0.14 -0.48 0.11 0.00 -0.30 0.00 0.00 42.92 42.11 1rjj s ASP 97 CO -0.04 0.12 0.98 0.12 -0.17 0.00 0.00 175.17 176.18 1rjj s PHE 98 N 0.07 -0.52 -0.58 -5.34 2.19 -1.11 -5.02 117.98 107.68 1rjj s PHE 98 Ca -0.03 1.24 -0.38 0.00 0.33 0.00 0.00 56.93 58.10 1rjj s PHE 98 Cb -0.10 0.35 -0.17 0.00 -1.31 0.00 0.00 43.02 41.79 1rjj s PHE 98 CO 0.01 -0.26 2.30 -2.30 1.83 0.00 0.00 175.22 176.81 1rjj n PRO 99 N 2.19 0.34 -3.13 10.12 -0.02 -1.26 -3.49 135.00 139.75 1rjj n PRO 99 Ca -0.13 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 1rjj n PRO 99 Cb 0.56 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 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 7.44 5.08 -0.42 -1.45 0.11 -1.10 -4.88 120.40 125.19 1rjj s VAL 100 Ca 1.20 1.26 0.03 0.00 -2.93 0.00 0.00 61.98 61.54 1rjj s VAL 100 Cb -1.20 -3.96 0.12 0.00 -1.53 0.00 0.00 36.38 29.81 1rjj s VAL 100 CO 0.55 0.25 0.16 0.00 -3.33 0.00 0.00 175.10 172.73 1rjj s ALA 101 N 0.96 2.79 -0.03 1.54 0.00 -1.26 -3.09 121.76 122.67 1rjj s ALA 101 Ca 0.33 -2.73 -0.25 0.00 0.00 0.00 0.00 51.96 49.30 1rjj s ALA 101 Cb -0.17 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.02 1rjj s ALA 101 CO 0.14 -1.87 0.55 0.00 0.00 0.00 0.00 175.76 174.59 1rjj s ALA 102 N 0.44 -1.42 0.00 0.00 0.00 -1.26 -5.00 121.76 114.52 1rjj s ALA 102 Ca 0.14 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1rjj s ALA 102 Cb -0.22 0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1rjj s ALA 102 CO -0.06 -0.35 0.00 1.33 0.00 0.00 0.00 175.76 176.68 1rjj n VAL 103 N 0.95 0.00 -3.51 0.00 0.24 -1.26 -4.85 118.33 109.91 1rjj n VAL 103 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1rjj n VAL 103 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1rjj n VAL 103 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rjj n LYS 104 N -0.07 0.00 0.00 7.34 4.76 -1.26 -4.70 118.16 124.23 1rjj n LYS 104 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1rjj n LYS 104 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1rjj n LYS 104 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rjj n SER 105 N -0.49 0.00 -4.51 4.39 7.64 -1.26 -4.88 113.62 114.51 1rjj n SER 105 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1rjj n SER 105 Cb 0.00 -1.21 0.07 0.00 -1.01 0.00 0.00 64.21 62.06 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 0.00 -0.60 -4.15 6.43 3.41 -1.26 -5.01 113.62 112.44 1rjj n SER 106 Ca 0.00 0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1rjj n SER 106 Cb 0.00 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 62.58 1rjj n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rjj s VAL 107 N -1.82 0.09 -0.46 -3.33 0.11 -1.26 -4.93 120.40 108.80 1rjj s VAL 107 Ca 0.69 -1.91 -0.06 0.00 -2.93 0.00 0.00 61.98 57.77 1rjj s VAL 107 Cb -0.37 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1rjj s VAL 107 CO 0.54 -0.39 0.39 0.55 -3.33 0.00 0.00 175.10 172.86 1rjj n VAL 108 N -0.12 -2.11 -0.58 2.04 3.14 -1.26 -4.81 118.33 114.63 1rjj n VAL 108 Ca -0.04 0.01 -0.27 0.00 -2.96 0.00 0.00 64.34 61.07 1rjj n VAL 108 Cb 0.64 -1.89 0.17 0.00 -1.06 0.00 0.00 33.84 31.70 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjj n ALA 109 N -1.41 -2.99 -2.12 1.55 0.00 -1.26 -4.82 120.51 109.47 1rjj n ALA 109 Ca -0.17 -1.26 -0.42 0.00 0.00 0.00 0.00 53.44 51.59 1rjj n ALA 109 Cb 0.44 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1rjj n ALA 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rjj s THR 110 N -2.16 3.42 -2.00 0.00 2.01 -1.26 -5.28 115.64 110.37 1rjj s THR 110 Ca 0.49 1.11 0.31 0.00 0.31 0.00 0.00 61.69 63.91 1rjj s THR 110 Cb -0.09 -3.71 0.89 0.00 0.01 0.00 0.00 72.50 69.59 1rjj s THR 110 CO 0.53 0.14 2.18 -0.81 -0.69 0.00 0.00 174.62 175.97