#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 -2.61 0.05 3.17 0.00 -1.26 -4.87 120.51 114.98 1rjj n ALA 2 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1rjj n ALA 2 Cb 0.00 -2.91 -0.09 0.00 0.00 0.00 0.00 19.45 16.45 1rjj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjj h THR 3 N -1.54 1.10 0.00 0.00 1.03 -1.90 -3.48 112.91 108.12 1rjj h THR 3 Ca -0.61 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.01 1rjj h THR 3 Cb 1.35 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 1rjj h THR 3 CO 0.45 0.19 0.00 -1.20 -0.01 0.00 0.00 175.52 174.95 1rjj n SER 4 N -4.98 0.00 -4.75 0.00 7.64 -1.18 -5.03 113.62 105.31 1rjj n SER 4 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.39 1rjj n SER 4 Cb 0.22 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.94 3.37 0.23 0.00 -0.35 -4.70 105.19 104.68 1rjj n GLY 5 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1rjj n GLY 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rjj s PHE 6 N -1.19 2.84 -0.08 1.61 5.36 -1.08 0.12 117.98 125.56 1rjj s PHE 6 Ca 0.61 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1rjj s PHE 6 Cb -0.46 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1rjj s PHE 6 CO 0.58 -0.24 -0.06 0.21 -1.46 0.00 0.00 175.22 174.25 1rjj s LYS 7 N 0.47 2.87 -0.06 10.12 2.20 -1.22 -1.60 119.74 132.51 1rjj s LYS 7 Ca -0.08 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1rjj s LYS 7 Cb -0.16 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1rjj s LYS 7 CO 0.04 0.62 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.97 1rjj s HIS 8 N -0.69 1.26 0.01 4.03 5.65 0.29 -2.44 115.29 123.42 1rjj s HIS 8 Ca 0.10 -0.45 0.02 0.00 0.25 0.00 0.00 55.06 54.99 1rjj s HIS 8 Cb -0.11 -0.96 -0.01 0.00 -1.18 0.00 0.00 32.58 30.31 1rjj s HIS 8 CO 0.02 -0.26 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.61 1rjj s LEU 9 N 0.75 2.09 -0.02 8.88 0.20 -0.64 -1.05 118.68 128.89 1rjj s LEU 9 Ca -0.13 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.47 1rjj s LEU 9 Cb -0.15 -0.27 -0.01 0.00 -0.43 0.00 0.00 46.19 45.33 1rjj s LEU 9 CO 0.03 -0.02 -0.14 0.54 -0.29 0.00 0.00 176.35 176.46 1rjj s VAL 10 N -0.56 1.18 -0.09 1.68 0.11 -1.18 -0.99 120.40 120.55 1rjj s VAL 10 Ca -0.02 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1rjj s VAL 10 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1rjj s VAL 10 CO 0.00 0.34 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.19 1rjj s VAL 11 N -0.16 1.96 0.16 2.04 1.01 -0.03 -2.86 120.40 122.53 1rjj s VAL 11 Ca 0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1rjj s VAL 11 Cb -0.08 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1rjj s VAL 11 CO 0.00 0.54 0.03 0.68 0.00 0.00 0.00 175.10 176.36 1rjj s VAL 12 N 0.31 0.42 0.08 2.92 -7.23 -0.99 -2.21 120.40 113.71 1rjj s VAL 12 Ca -0.17 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1rjj s VAL 12 Cb -0.17 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1rjj s VAL 12 CO 0.08 -0.42 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.56 1rjj s LYS 13 N -3.98 0.87 0.09 4.82 2.47 -1.21 -1.61 119.74 121.19 1rjj s LYS 13 Ca 0.26 -1.04 0.05 0.00 -1.56 0.00 0.00 55.97 53.68 1rjj s LYS 13 Cb 0.07 -0.84 -0.04 0.00 -1.46 0.00 0.00 37.83 35.56 1rjj s LYS 13 CO 0.04 0.18 -0.00 -0.59 0.16 0.00 0.00 175.35 175.14 1rjj s PHE 14 N -1.54 2.98 0.00 4.03 -0.12 -1.26 -1.61 117.98 120.46 1rjj s PHE 14 Ca 0.01 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1rjj s PHE 14 Cb -0.08 -1.53 0.00 0.00 -0.63 0.00 0.00 43.02 40.78 1rjj s PHE 14 CO 0.02 0.48 0.00 0.36 -0.05 0.00 0.00 175.22 176.03 1rjj n LYS 15 N 0.54 1.62 -0.10 1.99 2.85 -1.26 -4.78 118.16 119.02 1rjj n LYS 15 Ca -0.11 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 56.99 1rjj n LYS 15 Cb 0.52 -0.92 -0.08 0.00 -0.65 0.00 0.00 35.03 33.91 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 -1.38 0.53 0.00 -1.58 1.02 -1.26 -5.00 120.64 112.97 1rjj n GLU 16 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1rjj n GLU 16 Cb 0.11 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 -4.48 0.00 -4.53 1.62 2.03 -1.26 -5.09 116.55 104.84 1rjj n ASP 17 Ca -0.25 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.60 1rjj n ASP 17 Cb 0.56 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.26 -2.59 5.18 -1.04 -1.26 -4.86 114.28 109.97 1rjj n THR 18 Ca 0.00 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 1rjj n THR 18 Cb 0.00 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.33 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 6.38 3.55 0.40 -2.82 3.01 -1.26 -4.81 119.74 124.19 1rjj s LYS 19 Ca 1.05 -1.07 0.08 0.00 -1.01 0.00 0.00 55.97 55.02 1rjj s LYS 19 Cb -0.57 -5.20 0.84 0.00 -1.01 0.00 0.00 37.83 31.90 1rjj s LYS 19 CO 0.41 -2.17 2.01 -0.39 0.51 0.00 0.00 175.35 175.72 1rjj h VAL 20 N 6.65 1.12 -0.41 3.17 -1.51 -1.98 -1.53 116.25 121.75 1rjj h VAL 20 Ca 0.14 -0.37 -0.11 0.00 -1.23 0.00 0.00 66.70 65.13 1rjj h VAL 20 Cb 1.02 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1rjj h VAL 20 CO 1.39 0.14 -0.19 -2.24 -1.23 0.00 0.00 177.57 175.44 1rjj h ASP 21 N 0.44 0.88 0.39 4.19 2.03 -1.98 0.90 116.42 123.27 1rjj h ASP 21 Ca 0.11 -0.40 -0.06 0.00 -0.73 0.00 0.00 57.03 55.95 1rjj h ASP 21 Cb 0.08 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 1rjj h ASP 21 CO -0.01 1.08 -0.28 -0.08 -1.03 0.00 0.00 179.24 178.92 1rjj h GLU 22 N 0.67 0.00 -0.09 4.15 4.81 -1.85 -0.61 114.58 121.67 1rjj h GLU 22 Ca 0.09 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 1rjj h GLU 22 Cb 0.75 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1rjj h GLU 22 CO 0.06 0.28 -0.89 0.82 -0.73 0.00 0.00 179.01 178.55 1rjj h ILE 23 N 0.00 1.28 -0.97 2.32 2.04 -0.74 -3.09 117.51 118.35 1rjj h ILE 23 Ca -0.00 -2.10 0.06 0.00 1.00 0.00 0.00 64.86 63.82 1rjj h ILE 23 Cb 0.55 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1rjj h ILE 23 CO 0.04 0.66 0.63 0.25 0.00 0.00 0.00 178.15 179.72 1rjj h LEU 24 N 0.47 1.02 -2.33 1.44 5.85 0.21 0.48 115.31 122.45 1rjj h LEU 24 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1rjj h LEU 24 Cb 1.52 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1rjj h LEU 24 CO 0.18 0.66 -0.02 0.07 -0.34 0.00 0.00 178.44 178.99 1rjj h LYS 25 N 1.16 0.00 0.11 1.25 5.09 -1.09 -0.07 116.57 123.03 1rjj h LYS 25 Ca 0.41 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.97 1rjj h LYS 25 Cb 0.12 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.46 1rjj h LYS 25 CO -0.16 0.02 -0.82 0.78 -2.09 0.00 0.00 179.45 177.18 1rjj h GLY 26 N 0.09 0.28 -0.10 0.07 0.00 -0.25 -3.20 103.07 99.96 1rjj h GLY 26 Ca -0.00 -0.71 0.09 0.00 0.00 0.00 0.00 47.33 46.71 1rjj h GLY 26 CO 0.00 0.62 -0.22 -2.00 0.00 0.00 0.00 176.54 174.95 1rjj h LEU 27 N -0.46 -0.74 -0.79 3.11 6.46 0.12 0.56 115.31 123.57 1rjj h LEU 27 Ca -0.16 0.17 0.13 0.00 -0.12 0.00 0.00 57.88 57.90 1rjj h LEU 27 Cb 1.57 0.40 -0.09 0.00 -0.73 0.00 0.00 40.66 41.82 1rjj h LEU 27 CO 0.11 -0.24 0.39 1.05 -0.62 0.00 0.00 178.44 179.12 1rjj h GLU 28 N -0.12 0.58 -0.70 1.25 4.11 -1.26 0.75 114.58 119.20 1rjj h GLU 28 Ca 0.22 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.66 1rjj h GLU 28 Cb 0.46 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1rjj h GLU 28 CO -0.54 0.39 0.41 -0.97 0.07 0.00 0.00 179.01 178.37 1rjj h ASN 29 N 0.60 0.64 -0.82 3.06 -1.24 -0.10 0.18 115.58 117.90 1rjj h ASN 29 Ca 0.41 0.02 0.20 0.00 0.71 0.00 0.00 56.30 57.64 1rjj h ASN 29 Cb 0.54 -0.11 -0.13 0.00 0.73 0.00 0.00 38.32 39.35 1rjj h ASN 29 CO -0.33 0.42 0.18 0.25 -1.29 0.00 0.00 177.43 176.66 1rjj h LEU 30 N 0.77 -0.04 -1.83 0.34 7.12 0.46 1.80 115.31 123.94 1rjj h LEU 30 Ca 0.30 0.18 0.08 0.00 0.13 0.00 0.00 57.88 58.57 1rjj h LEU 30 Cb 0.13 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 1rjj h LEU 30 CO -0.16 -0.11 0.48 0.58 -0.13 0.00 0.00 178.44 179.10 1rjj h VAL 31 N 0.22 0.20 -0.91 1.05 2.07 -0.05 -0.37 116.25 118.47 1rjj h VAL 31 Ca 0.49 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.24 1rjj h VAL 31 Cb 0.92 0.58 -0.16 0.00 -1.52 0.00 0.00 31.29 31.10 1rjj h VAL 31 CO -0.61 0.00 0.05 -1.28 0.02 0.00 0.00 177.57 175.75 1rjj h SER 32 N 0.00 -0.37 1.42 0.57 0.87 0.28 1.70 113.55 118.02 1rjj h SER 32 Ca 0.13 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1rjj h SER 32 Cb 1.10 0.41 -0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1rjj h SER 32 CO -0.00 -0.27 -0.03 1.56 -0.53 0.00 0.00 176.83 177.55 1rjj h GLN 33 N 0.07 0.00 -0.96 2.24 1.08 -1.22 -3.19 115.11 113.14 1rjj h GLN 33 Ca 0.54 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.72 1rjj h GLN 33 Cb 1.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1rjj h GLN 33 CO -0.81 0.03 0.02 -0.89 -0.95 0.00 0.00 178.83 176.23 1rjj n ILE 34 N -3.12 0.55 0.00 2.54 5.41 0.58 -3.79 119.36 121.53 1rjj n ILE 34 Ca 0.02 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1rjj n ILE 34 Cb 0.42 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 1rjj n ILE 34 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1rjj n ASP 35 N 0.12 0.00 -0.11 4.38 5.68 -1.18 0.17 116.55 125.60 1rjj n ASP 35 Ca 0.05 0.43 0.15 0.00 -0.50 0.00 0.00 54.79 54.92 1rjj n ASP 35 Cb 0.43 -0.43 0.81 0.00 -1.14 0.00 0.00 41.12 40.79 1rjj n ASP 35 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1rjj n THR 36 N -1.43 0.00 -2.28 2.12 -2.24 -1.25 -4.86 114.28 104.35 1rjj n THR 36 Ca 0.00 -0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1rjj n THR 36 Cb 0.01 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.77 0.00 -1.98 2.28 0.24 0.44 -4.65 118.33 113.90 1rjj n VAL 37 Ca 0.21 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.26 1rjj n VAL 37 Cb 0.19 -0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.11 3.50 -3.78 7.34 5.02 -1.26 -5.01 118.16 121.86 1rjj n LYS 38 Ca 0.01 -4.09 0.00 0.00 -2.02 0.00 0.00 58.31 52.21 1rjj n LYS 38 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1rjj n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rjj s SER 39 N -3.38 -0.05 0.09 4.39 1.04 -1.26 0.08 113.70 114.61 1rjj s SER 39 Ca 0.52 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1rjj s SER 39 Cb 0.42 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1rjj s SER 39 CO 0.02 -0.52 0.25 -0.36 0.98 0.00 0.00 173.24 173.60 1rjj s PHE 40 N -2.41 0.04 -0.22 5.02 0.08 0.15 -4.92 117.98 115.72 1rjj s PHE 40 Ca 0.19 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 1rjj s PHE 40 Cb 0.01 0.03 0.10 0.00 -0.57 0.00 0.00 43.02 42.59 1rjj s PHE 40 CO -0.00 -0.57 0.47 -1.21 -0.10 0.00 0.00 175.22 173.81 1rjj s GLU 41 N -3.63 0.39 0.33 0.44 2.02 -1.25 -1.17 118.70 115.84 1rjj s GLU 41 Ca 0.03 1.11 0.07 0.00 0.02 0.00 0.00 54.97 56.19 1rjj s GLU 41 Cb 0.03 0.41 -0.06 0.00 0.10 0.00 0.00 34.13 34.61 1rjj s GLU 41 CO -0.10 -0.23 -0.03 -1.58 0.02 0.00 0.00 175.26 173.34 1rjj s TRP 42 N 2.55 2.15 0.19 1.61 0.51 -1.16 -4.95 118.94 119.85 1rjj s TRP 42 Ca -0.03 -0.71 0.08 0.00 -2.12 0.00 0.00 56.10 53.32 1rjj s TRP 42 Cb -0.12 -1.34 -0.04 0.00 -0.81 0.00 0.00 33.47 31.16 1rjj s TRP 42 CO -0.14 0.31 -0.16 0.20 -0.51 0.00 0.00 176.95 176.64 1rjj s GLY 43 N -3.54 1.44 -0.12 0.98 0.00 -1.26 -2.67 107.32 102.16 1rjj s GLY 43 Ca 0.33 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.35 1rjj s GLY 43 CO 0.15 -1.68 0.30 -0.54 0.00 0.00 0.00 173.10 171.33 1rjj s GLU 44 N -3.27 0.33 -0.05 2.90 0.41 -0.95 -4.97 118.70 113.10 1rjj s GLU 44 Ca 0.20 0.48 0.02 0.00 -0.41 0.00 0.00 54.97 55.26 1rjj s GLU 44 Cb -0.03 0.09 -0.03 0.00 -1.78 0.00 0.00 34.13 32.38 1rjj s GLU 44 CO 0.07 -0.08 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.18 1rjj s ASP 45 N 0.52 4.55 -0.11 -0.19 1.01 -1.26 -1.24 116.67 119.95 1rjj s ASP 45 Ca -0.03 -0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.12 1rjj s ASP 45 Cb -0.04 -1.10 0.06 0.00 1.01 0.00 0.00 42.92 42.84 1rjj s ASP 45 CO -0.03 0.34 0.17 -1.59 0.21 0.00 0.00 175.17 174.27 1rjj s LYS 46 N -0.95 0.06 0.00 8.23 0.00 -1.18 -4.95 119.74 120.97 1rjj s LYS 46 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 55.97 56.54 1rjj s LYS 46 Cb -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 37.83 37.13 1rjj s LYS 46 CO 0.03 -0.40 0.00 0.39 0.00 0.00 0.00 175.35 175.36 1rjj n GLU 47 N 5.32 1.01 -2.15 1.78 1.02 -1.26 -3.42 120.64 122.93 1rjj n GLU 47 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1rjj n GLU 47 Cb 0.50 -0.08 -0.03 0.00 -0.02 0.00 0.00 31.44 31.81 1rjj n GLU 47 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1rjj s SER 48 N 0.00 6.77 0.33 1.62 0.01 -1.26 -4.58 113.70 116.59 1rjj s SER 48 Ca 0.00 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1rjj s SER 48 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1rjj s SER 48 CO 0.00 -0.83 0.00 1.41 0.41 0.00 0.00 173.24 174.23 1rjj n HIS 49 N 6.36 -4.94 0.00 2.43 8.25 -1.26 -1.93 115.22 124.13 1rjj n HIS 49 Ca 0.15 2.71 -0.04 0.00 -0.26 0.00 0.00 57.72 60.29 1rjj n HIS 49 Cb 0.43 -3.68 0.20 0.00 1.12 0.00 0.00 29.99 28.06 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 3.59 0.52 0.26 0.41 3.32 -1.93 -2.08 116.42 120.49 1rjj h ASP 50 Ca 0.00 -0.17 -0.27 0.00 0.02 0.00 0.00 57.03 56.61 1rjj h ASP 50 Cb 0.00 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.43 1rjj h ASP 50 CO 0.00 0.74 -1.14 0.24 -1.72 0.00 0.00 179.24 177.36 1rjj h MET 51 N 0.46 0.52 0.00 3.56 2.86 -1.92 -2.45 114.93 117.96 1rjj h MET 51 Ca 0.07 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1rjj h MET 51 Cb 0.64 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1rjj h MET 51 CO 0.05 1.27 0.00 1.28 1.06 0.00 0.00 176.91 180.57 1rjj n LEU 52 N -3.74 0.32 -0.13 1.22 4.77 -1.19 -3.91 117.00 114.34 1rjj n LEU 52 Ca -0.11 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rjj n LEU 52 Cb 0.94 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1rjj n LEU 52 CO 0.55 -0.44 0.27 0.54 -1.33 0.00 0.00 177.39 176.98 1rjj n ARG 53 N -1.83 0.61 -0.47 3.23 5.12 -0.79 -4.77 116.66 117.77 1rjj n ARG 53 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1rjj n ARG 53 Cb 0.00 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 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 -0.32 -1.54 -0.38 5.56 6.02 -0.92 -2.79 117.38 123.02 1rjj n GLN 54 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1rjj n GLN 54 Cb 0.04 -3.61 0.00 0.00 1.02 0.00 0.00 30.24 27.69 1rjj n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rjj n GLY 55 N 0.27 0.00 0.00 1.08 0.00 -1.22 -4.92 105.19 100.41 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 -1.39 0.00 0.00 1.61 3.01 -1.12 -4.76 117.46 114.81 1rjj n PHE 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1rjj n PHE 56 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1rjj n PHE 56 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1rjj n THR 57 N 0.00 0.00 -3.57 4.37 -1.04 -0.63 -4.61 114.28 108.80 1rjj n THR 57 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1rjj n THR 57 Cb 0.00 -0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 1rjj n THR 57 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1rjj s HIS 58 N -1.80 -0.19 0.10 -1.42 5.65 -1.21 -3.07 115.29 113.35 1rjj s HIS 58 Ca 0.00 0.12 -0.03 0.00 0.25 0.00 0.00 55.06 55.40 1rjj s HIS 58 Cb 0.00 0.52 -0.03 0.00 -1.18 0.00 0.00 32.58 31.89 1rjj s HIS 58 CO 0.00 -0.31 0.07 0.00 -0.65 0.00 0.00 174.74 173.85 1rjj s ALA 59 N -2.63 0.54 -0.05 1.58 0.00 -0.37 -2.36 121.76 118.47 1rjj s ALA 59 Ca 0.08 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1rjj s ALA 59 Cb -0.01 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1rjj s ALA 59 CO -0.06 -0.47 -0.06 -0.06 0.00 0.00 0.00 175.76 175.11 1rjj s PHE 60 N -3.98 0.87 -0.55 0.00 0.08 -1.14 -2.23 117.98 111.03 1rjj s PHE 60 Ca 0.16 -0.26 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 1rjj s PHE 60 Cb 0.07 -0.73 0.14 0.00 -0.57 0.00 0.00 43.02 41.92 1rjj s PHE 60 CO -0.04 -0.21 0.48 0.45 -0.10 0.00 0.00 175.22 175.81 1rjj s SER 61 N 0.88 6.09 -0.28 1.36 0.15 -1.09 -3.09 113.70 117.72 1rjj s SER 61 Ca -0.12 -1.95 -0.12 0.00 0.70 0.00 0.00 55.95 54.46 1rjj s SER 61 Cb -0.15 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1rjj s SER 61 CO 0.01 -0.77 0.25 -0.04 1.20 0.00 0.00 173.24 173.89 1rjj s MET 62 N 1.33 3.94 -0.01 5.44 -1.94 -0.22 -2.99 119.30 124.85 1rjj s MET 62 Ca 0.06 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 53.88 1rjj s MET 62 Cb -0.27 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 32.88 1rjj s MET 62 CO 0.00 -0.23 -0.25 0.99 -0.01 0.00 0.00 175.02 175.53 1rjj s THR 63 N 1.86 2.17 -0.11 2.05 2.01 -0.32 -0.55 115.64 122.76 1rjj s THR 63 Ca 0.09 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1rjj s THR 63 Cb -0.16 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1rjj s THR 63 CO 0.11 0.55 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.07 1rjj s PHE 64 N -0.65 1.99 0.49 4.92 0.08 -0.63 0.34 117.98 124.52 1rjj s PHE 64 Ca 0.10 -0.92 0.26 0.00 0.12 0.00 0.00 56.93 56.50 1rjj s PHE 64 Cb -0.10 -1.43 1.33 0.00 -0.57 0.00 0.00 43.02 42.25 1rjj s PHE 64 CO -0.00 -0.47 1.86 1.49 -0.10 0.00 0.00 175.22 178.00 1rjj h GLU 65 N 7.36 0.15 -3.26 0.44 4.81 -0.69 -2.86 114.58 120.53 1rjj h GLU 65 Ca -0.31 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1rjj h GLU 65 Cb 1.18 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 1rjj h GLU 65 CO 0.49 0.10 0.04 1.21 -0.73 0.00 0.00 179.01 180.12 1rjj s ASN 66 N -5.56 -0.32 0.63 1.04 3.84 -1.26 -4.54 114.94 108.78 1rjj s ASN 66 Ca -0.06 -0.33 0.39 0.00 0.21 0.00 0.00 52.86 53.07 1rjj s ASN 66 Cb 0.22 0.55 2.18 0.00 -0.55 0.00 0.00 41.25 43.65 1rjj s ASN 66 CO 0.78 -0.98 2.31 0.11 -2.79 0.00 0.00 177.10 176.54 1rjj h LYS 67 N 2.20 0.00 -0.79 0.43 1.57 -1.94 -2.73 116.57 115.32 1rjj h LYS 67 Ca -0.31 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1rjj h LYS 67 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 1rjj h LYS 67 CO 0.40 0.01 0.52 0.38 -0.57 0.00 0.00 179.45 180.19 1rjj h ASP 68 N 0.00 0.64 0.44 0.86 2.03 -1.96 0.95 116.42 119.38 1rjj h ASP 68 Ca -0.00 0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.18 1rjj h ASP 68 Cb 0.03 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 1rjj h ASP 68 CO 0.00 0.37 -0.62 1.23 -1.03 0.00 0.00 179.24 179.20 1rjj h GLY 69 N 0.70 0.19 0.89 7.15 0.00 -1.81 -2.42 103.07 107.76 1rjj h GLY 69 Ca 0.37 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1rjj h GLY 69 CO -0.14 0.21 -0.10 -1.82 0.00 0.00 0.00 176.54 174.69 1rjj h TYR 70 N 0.12 0.66 0.00 5.60 3.20 -0.98 -1.95 116.97 123.62 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 1.11 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1rjj h TYR 70 CO 0.02 0.79 -0.48 -0.39 -1.64 0.00 0.00 178.16 176.45 1rjj h VAL 71 N 0.34 1.24 0.69 1.81 -1.51 -1.26 -2.70 116.25 114.87 1rjj h VAL 71 Ca 0.07 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1rjj h VAL 71 Cb 0.59 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1rjj h VAL 71 CO 0.03 0.47 -0.33 0.00 -1.23 0.00 0.00 177.57 176.51 1rjj h ALA 72 N 1.52 -1.00 0.67 5.19 0.00 -1.22 -1.40 119.26 123.02 1rjj h ALA 72 Ca -0.00 -0.20 -0.03 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 -0.50 0.35 0.00 0.00 0.00 179.25 178.23 1rjj h PHE 73 N -1.16 -1.36 -0.88 0.00 3.57 -1.39 -0.95 116.94 114.77 1rjj h PHE 73 Ca -0.10 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.60 1rjj h PHE 73 Cb 0.72 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1rjj h PHE 73 CO 0.02 -0.71 0.58 0.00 -2.23 0.00 0.00 178.31 175.97 1rjj h THR 74 N -1.12 0.69 0.00 4.41 1.03 -1.59 0.22 112.91 116.54 1rjj h THR 74 Ca -0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 1rjj h THR 74 Cb 0.93 0.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1rjj h THR 74 CO 0.03 0.07 0.00 0.28 -0.01 0.00 0.00 175.52 175.89 1rjj h SER 75 N 0.38 0.00 -3.46 0.00 0.02 -0.63 -3.42 113.55 106.44 1rjj h SER 75 Ca 0.45 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.87 1rjj h SER 75 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1rjj h SER 75 CO -0.16 0.00 0.39 -1.00 -1.14 0.00 0.00 176.83 174.92 1rjj s HIS 76 N -3.19 3.70 0.09 3.45 4.02 0.77 -4.86 115.29 119.26 1rjj s HIS 76 Ca 0.08 1.70 0.01 0.00 1.02 0.00 0.00 55.06 57.88 1rjj s HIS 76 Cb 0.10 -3.13 0.07 0.00 -1.02 0.00 0.00 32.58 28.60 1rjj s HIS 76 CO 0.58 -0.07 0.71 -2.30 1.02 0.00 0.00 174.74 174.68 1rjj n PRO 77 N 3.37 0.02 0.15 8.40 -0.02 -1.26 -0.11 135.00 145.54 1rjj n PRO 77 Ca 0.05 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1rjj n PRO 77 Cb 0.50 -2.10 0.19 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.09 2.45 5.85 -1.89 -3.17 115.31 118.64 1rjj h LEU 78 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1rjj h LEU 78 Cb 1.12 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.17 1rjj h LEU 78 CO 0.00 0.53 -0.66 -0.74 -0.34 0.00 0.00 178.44 177.22 1rjj h HIS 79 N 0.00 0.49 0.79 1.25 2.76 -0.69 -2.94 115.15 116.81 1rjj h HIS 79 Ca -0.01 -0.33 -0.04 0.00 -2.20 0.00 0.00 60.37 57.79 1rjj h HIS 79 Cb 1.13 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1rjj h HIS 79 CO 0.00 1.23 -0.41 -0.24 -1.30 0.00 0.00 177.93 177.21 1rjj h VAL 80 N -0.38 0.17 -0.97 5.26 3.04 -1.71 -0.08 116.25 121.59 1rjj h VAL 80 Ca -0.11 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.80 1rjj h VAL 80 Cb 1.48 0.17 -0.08 0.00 -2.01 0.00 0.00 31.29 30.85 1rjj h VAL 80 CO 0.13 0.00 0.62 -0.08 -1.01 0.00 0.00 177.57 177.23 1rjj h GLU 81 N -1.09 0.49 -0.12 4.17 4.22 -1.70 0.52 114.58 121.07 1rjj h GLU 81 Ca -0.11 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.22 1rjj h GLU 81 Cb 0.85 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rjj h GLU 81 CO 0.16 0.32 -0.29 0.35 -2.18 0.00 0.00 179.01 177.37 1rjj h PHE 82 N 0.50 0.24 -0.58 0.92 3.57 -1.17 -2.98 116.94 117.44 1rjj h PHE 82 Ca 0.53 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.99 1rjj h PHE 82 Cb 1.19 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1rjj h PHE 82 CO -0.00 0.49 0.38 1.03 -2.23 0.00 0.00 178.31 177.98 1rjj h SER 83 N 0.19 0.67 -0.37 0.41 0.87 0.19 0.57 113.55 116.08 1rjj h SER 83 Ca 0.03 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1rjj h SER 83 Cb 0.62 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1rjj h SER 83 CO 0.04 0.49 0.25 0.00 -0.53 0.00 0.00 176.83 177.08 1rjj h ALA 84 N 1.21 1.81 0.08 6.23 0.00 -1.37 -2.37 119.26 124.85 1rjj h ALA 84 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1rjj h ALA 84 Cb -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rjj h ALA 84 CO -0.05 0.16 -0.52 0.00 0.00 0.00 0.00 179.25 178.84 1rjj h ALA 85 N 1.78 -0.05 -0.94 0.00 0.00 -1.24 -2.35 119.26 116.46 1rjj h ALA 85 Ca 0.14 -0.61 0.39 0.00 0.00 0.00 0.00 54.91 54.83 1rjj h ALA 85 Cb 0.04 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 1rjj h ALA 85 CO -0.03 0.24 0.50 1.97 0.00 0.00 0.00 179.25 181.93 1rjj n PHE 86 N -4.30 1.09 -0.04 0.00 1.16 0.19 0.14 117.46 115.69 1rjj n PHE 86 Ca -0.12 1.11 -0.01 0.00 -1.87 0.00 0.00 57.45 56.56 1rjj n PHE 86 Cb 0.69 -1.51 -0.00 0.00 -1.61 0.00 0.00 39.48 37.05 1rjj n PHE 86 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1rjj h THR 87 N 0.00 0.00 0.00 1.97 2.02 -1.57 -1.11 112.91 114.23 1rjj h THR 87 Ca 0.79 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1rjj h THR 87 Cb 2.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1rjj h THR 87 CO -0.73 0.00 0.57 0.00 0.37 0.00 0.00 175.52 175.73 1rjj h ALA 88 N -1.25 1.44 -0.00 6.16 0.00 -0.35 1.00 119.26 126.25 1rjj h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rjj h ALA 88 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rjj h ALA 88 CO 0.00 -0.44 -0.02 1.33 0.00 0.00 0.00 179.25 180.12 1rjj n VAL 89 N -2.09 0.00 -4.27 0.00 0.24 0.37 -4.98 118.33 107.59 1rjj n VAL 89 Ca -0.01 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.66 1rjj n VAL 89 Cb 0.58 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.91 1rjj n VAL 89 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rjj s ILE 90 N -0.41 0.89 0.00 1.34 1.01 0.34 -4.52 121.20 119.86 1rjj s ILE 90 Ca 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1rjj s ILE 90 Cb 0.02 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1rjj s ILE 90 CO 0.05 -0.47 0.00 -0.67 0.00 0.00 0.00 174.94 173.85 1rjj n ASP 91 N -0.30 3.96 -3.92 3.58 2.03 -0.63 -4.72 116.55 116.56 1rjj n ASP 91 Ca -0.07 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.04 1rjj n ASP 91 Cb 0.63 0.52 -0.16 0.00 -0.72 0.00 0.00 41.12 41.39 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 -1.73 0.89 -0.10 -0.67 2.20 -1.20 -4.97 119.74 114.15 1rjj s LYS 92 Ca 0.00 -0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1rjj s LYS 92 Cb 0.00 -0.85 0.02 0.00 -1.51 0.00 0.00 37.83 35.48 1rjj s LYS 92 CO 0.00 -0.03 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.32 1rjj s ILE 93 N 0.73 1.38 -0.03 5.43 1.10 -1.26 -3.32 121.20 125.23 1rjj s ILE 93 Ca -0.10 -0.57 0.02 0.00 -0.51 0.00 0.00 60.65 59.48 1rjj s ILE 93 Cb -0.13 -1.28 0.01 0.00 0.15 0.00 0.00 42.46 41.21 1rjj s ILE 93 CO 0.01 0.42 -0.09 -0.69 -2.11 0.00 0.00 174.94 172.48 1rjj s VAL 94 N 1.01 0.78 -0.03 4.00 1.01 -0.94 -4.99 120.40 121.25 1rjj s VAL 94 Ca -0.07 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1rjj s VAL 94 Cb -0.15 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1rjj s VAL 94 CO -0.01 0.25 -0.02 -0.76 0.00 0.00 0.00 175.10 174.56 1rjj s LEU 95 N 0.33 1.38 -0.18 3.92 1.02 -1.26 -0.85 118.68 123.04 1rjj s LEU 95 Ca -0.05 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 1rjj s LEU 95 Cb -0.10 -0.29 0.00 0.00 0.02 0.00 0.00 46.19 45.82 1rjj s LEU 95 CO 0.01 -0.06 -0.13 -0.76 0.02 0.00 0.00 176.35 175.43 1rjj s LEU 96 N 0.77 2.50 -0.06 1.79 1.02 -0.16 -4.94 118.68 119.61 1rjj s LEU 96 Ca -0.09 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1rjj s LEU 96 Cb -0.12 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.50 1rjj s LEU 96 CO -0.01 0.03 -0.16 1.51 0.02 0.00 0.00 176.35 177.74 1rjj s ASP 97 N 1.12 2.15 -0.28 2.29 -4.77 -1.26 -1.62 116.67 114.30 1rjj s ASP 97 Ca 0.00 -0.36 -0.15 0.00 -3.30 0.00 0.00 52.55 48.74 1rjj s ASP 97 Cb -0.14 -0.81 0.09 0.00 -1.09 0.00 0.00 42.92 40.96 1rjj s ASP 97 CO -0.04 0.11 0.68 0.12 0.70 0.00 0.00 175.17 176.73 1rjj s PHE 98 N 0.32 -1.09 0.09 2.11 5.36 -1.02 -5.02 117.98 118.72 1rjj s PHE 98 Ca -0.10 2.15 -0.36 0.00 -0.96 0.00 0.00 56.93 57.65 1rjj s PHE 98 Cb -0.14 0.65 -0.17 0.00 -0.34 0.00 0.00 43.02 43.02 1rjj s PHE 98 CO 0.04 -0.54 1.19 -2.30 -1.46 0.00 0.00 175.22 172.14 1rjj n PRO 99 N 4.46 0.78 -4.79 10.12 -0.02 -1.26 -3.44 135.00 140.85 1rjj n PRO 99 Ca -0.19 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1rjj n PRO 99 Cb 0.58 -1.82 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1rjj n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rjj s VAL 100 N 0.13 3.18 -0.75 -1.45 1.01 0.32 -4.90 120.40 117.94 1rjj s VAL 100 Ca 0.83 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1rjj s VAL 100 Cb -1.02 -2.30 0.19 0.00 0.00 0.00 0.00 36.38 33.26 1rjj s VAL 100 CO 0.51 0.56 0.62 0.00 0.00 0.00 0.00 175.10 176.79 1rjj s ALA 101 N -0.24 3.88 -0.37 5.51 0.00 -1.26 -1.21 121.76 128.08 1rjj s ALA 101 Ca 0.02 -3.40 -0.26 0.00 0.00 0.00 0.00 51.96 48.31 1rjj s ALA 101 Cb -0.13 -2.98 -0.29 0.00 0.00 0.00 0.00 23.12 19.72 1rjj s ALA 101 CO 0.03 -2.17 1.67 0.00 0.00 0.00 0.00 175.76 175.28 1rjj n ALA 102 N 3.41 0.54 -3.15 0.00 0.00 -1.26 -4.58 120.51 115.46 1rjj n ALA 102 Ca 0.12 -2.31 0.04 0.00 0.00 0.00 0.00 53.44 51.30 1rjj n ALA 102 Cb 0.40 -3.21 -0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 9.97 -0.95 -2.48 0.00 -7.23 -1.26 -5.00 120.40 113.46 1rjj s VAL 103 Ca 0.65 0.00 0.23 0.00 -1.81 0.00 0.00 61.98 61.05 1rjj s VAL 103 Cb 0.07 -0.91 0.42 0.00 0.56 0.00 0.00 36.38 36.51 1rjj s VAL 103 CO 0.26 0.00 1.42 0.29 -0.31 0.00 0.00 175.10 176.76 1rjj n LYS 104 N 5.36 2.34 0.00 4.82 4.76 -1.26 -4.93 118.16 129.24 1rjj n LYS 104 Ca 0.06 -2.01 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 1rjj n LYS 104 Cb 0.54 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1rjj n LYS 104 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rjj n SER 105 N 1.24 0.00 -4.10 4.39 2.88 -1.26 -4.48 113.62 112.29 1rjj n SER 105 Ca 0.18 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 1rjj n SER 105 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1rjj n SER 105 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1rjj n SER 106 N 0.73 -1.79 0.05 -3.46 7.64 -1.26 -4.84 113.62 110.69 1rjj n SER 106 Ca 0.00 -1.02 -0.22 0.00 1.01 0.00 0.00 58.87 58.64 1rjj n SER 106 Cb 0.00 -2.85 -0.15 0.00 -1.01 0.00 0.00 64.21 60.21 1rjj n SER 106 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rjj h VAL 107 N -1.68 1.04 -1.63 0.44 2.07 -2.04 -3.36 116.25 111.08 1rjj h VAL 107 Ca -0.61 -2.49 -0.65 0.00 0.82 0.00 0.00 66.70 63.77 1rjj h VAL 107 Cb 1.38 2.80 -0.36 0.00 -1.52 0.00 0.00 31.29 33.59 1rjj h VAL 107 CO 0.71 0.79 -0.06 1.33 0.02 0.00 0.00 177.57 180.36 1rjj n VAL 108 N -3.76 2.85 -2.41 2.57 0.24 -1.26 -4.94 118.33 111.61 1rjj n VAL 108 Ca -0.23 -4.61 -0.38 0.00 -2.04 0.00 0.00 64.34 57.08 1rjj n VAL 108 Cb 1.00 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 1rjj n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjj s ALA 109 N -3.74 2.66 0.09 2.33 0.00 -1.26 -4.90 121.76 116.95 1rjj s ALA 109 Ca 0.50 -2.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.00 1rjj s ALA 109 Cb 0.42 -4.61 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 1rjj s ALA 109 CO -0.25 -3.95 0.07 -0.08 0.00 0.00 0.00 175.76 171.56 1rjj s THR 110 N 6.46 0.16 -2.00 0.00 -1.32 -1.26 -5.17 115.64 112.50 1rjj s THR 110 Ca 0.57 -1.64 0.27 0.00 -1.21 0.00 0.00 61.69 59.67 1rjj s THR 110 Cb 0.01 -1.63 0.75 0.00 -1.51 0.00 0.00 72.50 70.12 1rjj s THR 110 CO 0.03 -0.72 1.93 -0.81 -2.21 0.00 0.00 174.62 172.84