#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aje s SER -6 N 0.00 3.32 0.39 1.61 0.01 -1.26 -5.14 113.70 112.62 1aje s SER -6 Ca 0.00 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.53 1aje s SER -6 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1aje s SER -6 CO 0.00 0.16 0.56 -0.54 0.41 0.00 0.00 173.24 173.83 1aje s LYS -5 N -2.18 3.09 0.96 12.44 1.02 -1.26 -5.06 119.74 128.75 1aje s LYS -5 Ca 0.15 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 1aje s LYS -5 Cb -0.10 -2.71 -0.18 0.00 -0.52 0.00 0.00 37.83 34.32 1aje s LYS -5 CO 0.07 -0.09 -1.38 -0.89 -0.92 0.00 0.00 175.35 172.14 1aje n ILE -4 N -1.83 0.00 -0.74 2.17 -0.00 -1.26 -4.83 119.36 112.87 1aje n ILE -4 Ca 0.01 -0.08 -0.18 0.00 -0.00 0.00 0.00 62.75 62.49 1aje n ILE -4 Cb 0.58 0.00 0.07 0.00 -0.00 0.00 0.00 39.64 40.29 1aje n ILE -4 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1aje n ILE -3 N -3.19 0.00 -4.06 1.39 -0.00 -1.26 -5.02 119.36 107.22 1aje n ILE -3 Ca -0.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 62.75 62.55 1aje n ILE -3 Cb 0.70 -0.20 -0.03 0.00 -0.00 0.00 0.00 39.64 40.10 1aje n ILE -3 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1aje s SER -2 N -1.36 0.88 0.13 4.38 0.15 -1.26 -4.76 113.70 111.86 1aje s SER -2 Ca 0.25 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1aje s SER -2 Cb -0.00 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1aje s SER -2 CO 0.33 -1.35 0.00 0.00 1.20 0.00 0.00 173.24 173.42 1aje n ALA -1 N -0.57 -1.40 -1.25 5.45 0.00 -1.26 -4.55 120.51 116.92 1aje n ALA -1 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1aje n ALA -1 Cb 0.61 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 1aje n ALA -1 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1aje n MET 1 N -1.18 0.05 -0.08 0.00 2.81 -1.06 -4.54 117.12 113.11 1aje n MET 1 Ca 0.00 -0.99 0.24 0.00 -1.81 0.00 0.00 57.70 55.14 1aje n MET 1 Cb 0.03 -2.69 0.49 0.00 -0.71 0.00 0.00 33.22 30.34 1aje n MET 1 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1aje h GLN 2 N 10.37 0.00 -3.90 0.03 1.08 -1.78 -3.43 115.11 117.49 1aje h GLN 2 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1aje h GLN 2 Cb 0.94 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.32 1aje h GLN 2 CO 1.08 0.00 -0.78 2.41 -0.95 0.00 0.00 178.83 180.59 1aje n THR 3 N -3.27 -8.50 -3.94 -0.54 -1.04 -1.26 -4.91 114.28 90.81 1aje n THR 3 Ca 0.17 1.63 -0.30 0.00 -2.04 0.00 0.00 64.05 63.51 1aje n THR 3 Cb 1.24 -5.05 -0.15 0.00 -1.82 0.00 0.00 70.33 64.54 1aje n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1aje s ILE 4 N -0.36 1.58 0.48 12.58 1.09 0.34 -4.39 121.20 132.51 1aje s ILE 4 Ca -0.11 -1.29 -0.20 0.00 -1.10 0.00 0.00 60.65 57.95 1aje s ILE 4 Cb 0.01 -1.85 -0.09 0.00 -1.06 0.00 0.00 42.46 39.46 1aje s ILE 4 CO 0.29 -0.13 1.00 -0.75 -0.10 0.00 0.00 174.94 175.25 1aje s LYS 5 N 1.37 3.94 0.04 2.79 2.47 -1.26 0.74 119.74 129.82 1aje s LYS 5 Ca -0.05 1.20 0.01 0.00 -1.56 0.00 0.00 55.97 55.57 1aje s LYS 5 Cb -0.19 -2.13 -0.03 0.00 -1.46 0.00 0.00 37.83 34.03 1aje s LYS 5 CO -0.07 -0.29 -0.05 0.00 0.16 0.00 0.00 175.35 175.10 1aje s VAL 7 N -1.87 1.44 -0.00 0.00 1.01 0.41 -1.32 120.40 120.06 1aje s VAL 7 Ca -0.09 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 1aje s VAL 7 Cb -0.07 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1aje s VAL 7 CO -0.02 -0.08 0.63 -0.69 0.00 0.00 0.00 175.10 174.94 1aje s VAL 8 N 1.44 4.89 -0.00 2.92 1.01 -1.06 -1.52 120.40 128.08 1aje s VAL 8 Ca -0.05 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.31 1aje s VAL 8 Cb -0.18 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1aje s VAL 8 CO -0.06 0.40 -0.20 0.68 0.00 0.00 0.00 175.10 175.91 1aje s VAL 9 N -0.09 1.60 0.00 2.92 -7.23 -1.03 -4.75 120.40 111.82 1aje s VAL 9 Ca 0.33 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1aje s VAL 9 Cb -0.18 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1aje s VAL 9 CO 0.18 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1aje n GLY 10 N 2.40 2.86 0.38 2.32 0.00 -1.26 -2.94 105.19 108.96 1aje n GLY 10 Ca -0.16 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1aje n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aje n ASP 11 N 0.00 1.63 0.02 1.61 2.03 -1.26 -4.64 116.55 115.94 1aje n ASP 11 Ca 0.00 0.11 -0.02 0.00 0.52 0.00 0.00 54.79 55.41 1aje n ASP 11 Cb 0.00 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 1aje n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1aje n GLY 12 N 2.24 -0.12 0.00 0.27 0.00 -1.26 -4.56 105.19 101.76 1aje n GLY 12 Ca -0.30 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1aje n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aje n ALA 13 N -3.45 1.11 1.01 4.61 0.00 -1.26 -2.25 120.51 120.28 1aje n ALA 13 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1aje n ALA 13 Cb 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1aje n ALA 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1aje n VAL 14 N -1.15 0.00 -0.29 0.00 3.14 -1.26 -3.27 118.33 115.50 1aje n VAL 14 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1aje n VAL 14 Cb 0.03 -0.24 -0.04 0.00 -1.06 0.00 0.00 33.84 32.53 1aje n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aje n GLY 15 N 0.06 1.53 1.29 7.55 0.00 -0.95 -3.93 105.19 110.73 1aje n GLY 15 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1aje n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aje n LYS 16 N 2.46 1.97 0.05 1.61 2.85 -1.26 -4.17 118.16 121.67 1aje n LYS 16 Ca 0.10 -3.26 -0.12 0.00 -1.05 0.00 0.00 58.31 53.98 1aje n LYS 16 Cb 0.27 -1.87 -0.08 0.00 -0.65 0.00 0.00 35.03 32.71 1aje n LYS 16 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1aje h THR 17 N 1.07 0.00 0.00 0.58 2.02 -1.94 0.29 112.91 114.92 1aje h THR 17 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1aje h THR 17 Cb 1.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1aje h THR 17 CO 0.47 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.68 1aje h LEU 19 N 0.00 -0.06 -1.14 0.00 5.85 -0.74 0.40 115.31 119.61 1aje h LEU 19 Ca 0.00 -0.53 0.25 0.00 0.84 0.00 0.00 57.88 58.44 1aje h LEU 19 Cb 0.65 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 1aje h LEU 19 CO 0.00 0.53 0.63 -0.07 -0.34 0.00 0.00 178.44 179.19 1aje h LEU 20 N -0.70 0.60 0.77 2.25 4.07 -0.69 2.13 115.31 123.74 1aje h LEU 20 Ca -0.01 0.11 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1aje h LEU 20 Cb 0.59 0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.36 1aje h LEU 20 CO 0.01 0.11 -0.37 0.40 -1.08 0.00 0.00 178.44 177.51 1aje h ILE 21 N 0.52 0.00 0.00 1.22 1.08 -1.26 -1.21 117.51 117.86 1aje h ILE 21 Ca 0.62 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 1aje h ILE 21 Cb 1.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1aje h ILE 21 CO -0.40 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.52 1aje n SER 22 N -4.87 0.36 0.21 1.72 3.41 0.11 0.32 113.62 114.89 1aje n SER 22 Ca -0.13 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 1aje n SER 22 Cb 0.41 -0.69 0.24 0.00 -0.26 0.00 0.00 64.21 63.91 1aje n SER 22 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1aje h TYR 23 N 0.00 0.00 0.00 7.33 5.03 0.43 0.36 116.97 130.13 1aje h TYR 23 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1aje h TYR 23 Cb 0.16 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1aje h TYR 23 CO 0.00 0.10 -0.99 -2.37 -1.32 0.00 0.00 178.16 173.58 1aje n THR 24 N -3.14 0.00 -0.05 1.81 5.66 0.92 -4.73 114.28 114.75 1aje n THR 24 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1aje n THR 24 Cb 0.53 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1aje n THR 24 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1aje n THR 25 N -1.84 0.00 -1.94 1.09 -2.24 0.97 -4.91 114.28 105.41 1aje n THR 25 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1aje n THR 25 Cb 0.35 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1aje n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aje n ASN 26 N -0.29 -0.67 -3.39 3.42 2.85 0.13 -4.78 115.26 112.52 1aje n ASN 26 Ca 0.00 0.33 -0.17 0.00 -0.11 0.00 0.00 54.58 54.64 1aje n ASN 26 Cb 0.01 -0.78 -0.09 0.00 1.24 0.00 0.00 39.78 40.15 1aje n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1aje s LYS 27 N -3.80 0.34 -0.10 1.20 2.20 -1.26 -4.78 119.74 113.53 1aje s LYS 27 Ca 0.00 -0.17 -0.10 0.00 -0.36 0.00 0.00 55.97 55.34 1aje s LYS 27 Cb 0.00 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.63 1aje s LYS 27 CO 0.00 -1.04 0.22 -0.59 -0.36 0.00 0.00 175.35 173.58 1aje s PHE 28 N 2.32 3.60 -0.67 4.03 -0.71 -1.26 -4.73 117.98 120.56 1aje s PHE 28 Ca 0.10 0.63 -0.05 0.00 -1.04 0.00 0.00 56.93 56.57 1aje s PHE 28 Cb -0.14 -2.09 0.03 0.00 -1.21 0.00 0.00 43.02 39.61 1aje s PHE 28 CO -0.31 0.62 2.79 -0.35 -1.34 0.00 0.00 175.22 176.62 1aje n PRO 29 N 2.26 2.97 0.00 1.99 -0.04 -1.26 -4.90 135.00 136.02 1aje n PRO 29 Ca -0.17 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1aje n PRO 29 Cb 0.54 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1aje n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aje n SER 30 N 1.40 0.00 -2.80 3.54 2.88 -1.26 -3.22 113.62 114.15 1aje n SER 30 Ca 0.53 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1aje n SER 30 Cb 0.51 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1aje n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aje n GLU 31 N 0.00 2.21 -0.89 -1.46 -0.58 -1.26 -5.02 120.64 113.65 1aje n GLU 31 Ca 0.00 -4.00 0.05 0.00 -0.42 0.00 0.00 57.16 52.79 1aje n GLU 31 Cb 0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 31.44 28.99 1aje n GLU 31 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1aje n TYR 32 N -0.14 -1.31 0.02 -0.32 0.18 -1.20 -5.03 117.16 109.36 1aje n TYR 32 Ca 0.26 0.72 0.00 0.00 1.88 0.00 0.00 57.90 60.76 1aje n TYR 32 Cb 0.64 -1.17 0.00 0.00 -0.38 0.00 0.00 39.34 38.43 1aje n TYR 32 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 1aje n VAL 33 N -3.23 0.00 0.37 -3.48 3.14 -1.26 -4.93 118.33 108.94 1aje n VAL 33 Ca -0.03 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.49 1aje n VAL 33 Cb 0.22 0.00 0.54 0.00 -1.06 0.00 0.00 33.84 33.54 1aje n VAL 33 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1aje h PRO 34 N 0.00 0.00 -2.79 1.45 0.13 -1.97 -3.44 132.00 125.38 1aje h PRO 34 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1aje h PRO 34 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1aje h PRO 34 CO 0.00 0.00 -0.25 0.95 -0.23 0.00 0.00 178.00 178.47 1aje s THR 35 N -3.42 0.00 -0.13 1.56 -4.23 -1.26 -5.05 115.64 103.11 1aje s THR 35 Ca 0.04 -0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1aje s THR 35 Cb 0.09 -0.56 -0.25 0.00 1.34 0.00 0.00 72.50 73.12 1aje s THR 35 CO 0.47 -0.02 0.40 -0.37 -0.54 0.00 0.00 174.62 174.56 1aje h VAL 36 N 4.45 0.81 0.00 2.29 -1.51 -1.99 -3.47 116.25 116.83 1aje h VAL 36 Ca -0.27 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 62.87 1aje h VAL 36 Cb 1.18 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.86 1aje h VAL 36 CO 0.27 0.72 0.00 0.49 -1.23 0.00 0.00 177.57 177.82 1aje n PHE 37 N -3.82 -0.05 -3.45 5.19 3.72 -1.26 -5.06 117.46 112.73 1aje n PHE 37 Ca -0.30 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.97 1aje n PHE 37 Cb 0.93 0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.76 1aje n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1aje n ASP 38 N -1.88 -6.25 -4.39 4.37 8.00 -1.26 -4.89 116.55 110.25 1aje n ASP 38 Ca 0.00 -0.55 -0.37 0.00 0.71 0.00 0.00 54.79 54.58 1aje n ASP 38 Cb 0.00 -3.43 -0.12 0.00 -0.02 0.00 0.00 41.12 37.54 1aje n ASP 38 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1aje s ASN 39 N -3.01 5.19 0.00 -2.24 3.04 -1.26 -4.99 114.94 111.67 1aje s ASN 39 Ca 0.01 -0.55 0.00 0.00 0.04 0.00 0.00 52.86 52.37 1aje s ASN 39 Cb -0.00 -1.91 0.00 0.00 -1.54 0.00 0.00 41.25 37.79 1aje s ASN 39 CO 0.83 -0.15 0.00 0.00 -3.04 0.00 0.00 177.10 174.73 1aje n TYR 40 N 4.90 0.00 -3.83 0.43 4.11 -1.26 -4.87 117.16 116.64 1aje n TYR 40 Ca -0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.40 1aje n TYR 40 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.71 1aje n TYR 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1aje s ALA 41 N -1.99 3.03 0.59 -3.48 0.00 -1.23 -2.69 121.76 116.01 1aje s ALA 41 Ca 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 51.96 49.63 1aje s ALA 41 Cb 0.00 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1aje s ALA 41 CO 0.00 -1.62 0.90 0.14 0.00 0.00 0.00 175.76 175.18 1aje s VAL 42 N 1.17 3.52 -0.33 0.00 -7.23 -0.99 -4.32 120.40 112.21 1aje s VAL 42 Ca 0.04 -0.06 -0.09 0.00 -1.81 0.00 0.00 61.98 60.06 1aje s VAL 42 Cb -0.21 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.33 1aje s VAL 42 CO -0.03 -0.41 0.15 -0.89 -0.31 0.00 0.00 175.10 173.62 1aje s THR 43 N -2.99 4.44 0.47 5.32 2.01 -1.26 0.17 115.64 123.80 1aje s THR 43 Ca 0.54 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.99 1aje s THR 43 Cb -0.11 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.09 1aje s THR 43 CO 0.45 -0.04 0.61 0.68 -0.69 0.00 0.00 174.62 175.63 1aje s VAL 44 N 1.56 2.65 -0.07 3.82 -7.23 -0.89 -4.78 120.40 115.47 1aje s VAL 44 Ca 0.03 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 1aje s VAL 44 Cb -0.18 -2.70 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1aje s VAL 44 CO 0.06 0.00 -0.00 -0.04 -0.31 0.00 0.00 175.10 174.80 1aje s MET 45 N -4.42 0.63 -0.06 4.82 -1.94 -1.26 -0.50 119.30 116.57 1aje s MET 45 Ca 0.56 0.09 -0.01 0.00 -1.71 0.00 0.00 55.69 54.61 1aje s MET 45 Cb -0.08 -0.96 -0.00 0.00 2.01 0.00 0.00 34.83 35.80 1aje s MET 45 CO 0.34 -0.28 -0.02 0.82 -0.01 0.00 0.00 175.02 175.86 1aje h ILE 46 N 6.31 0.00 -0.41 2.53 5.03 -1.88 -3.43 117.51 125.67 1aje h ILE 46 Ca -0.22 -0.52 -0.30 0.00 -0.12 0.00 0.00 64.86 63.71 1aje h ILE 46 Cb 1.13 0.00 -0.36 0.00 -3.03 0.00 0.00 36.82 34.56 1aje h ILE 46 CO 0.28 0.00 -0.94 0.61 -0.68 0.00 0.00 178.15 177.42 1aje n GLY 47 N 1.83 3.45 0.00 5.37 0.00 -1.26 -4.87 105.19 109.71 1aje n GLY 47 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1aje n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aje n GLY 48 N -0.52 1.21 3.19 -0.02 0.00 -1.26 -4.98 105.19 102.81 1aje n GLY 48 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1aje n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aje s GLU 49 N -0.48 2.96 0.04 1.61 8.01 -1.26 -4.92 118.70 124.65 1aje s GLU 49 Ca 0.00 -0.84 -0.24 0.00 0.01 0.00 0.00 54.97 53.90 1aje s GLU 49 Cb 0.00 -2.31 -0.05 0.00 -4.31 0.00 0.00 34.13 27.46 1aje s GLU 49 CO 0.00 0.09 0.74 -1.25 0.01 0.00 0.00 175.26 174.84 1aje s PRO 50 N 0.57 4.47 -0.21 0.39 0.04 -1.25 -2.75 135.00 136.26 1aje s PRO 50 Ca -0.14 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1aje s PRO 50 Cb -0.17 -3.36 0.07 0.00 0.04 0.00 0.00 34.50 31.08 1aje s PRO 50 CO 0.04 0.30 0.08 0.71 0.04 0.00 0.00 177.00 178.17 1aje s TYR 51 N -0.10 0.55 0.64 0.56 2.02 0.35 -2.55 117.35 118.82 1aje s TYR 51 Ca 0.37 -0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 1aje s TYR 51 Cb -0.20 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 1aje s TYR 51 CO 0.22 -0.62 1.21 0.99 -1.57 0.00 0.00 175.55 175.78 1aje s THR 52 N 2.02 2.54 -0.29 -0.71 2.01 -1.25 -2.09 115.64 117.87 1aje s THR 52 Ca 0.03 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1aje s THR 52 Cb -0.16 -3.01 0.09 0.00 0.01 0.00 0.00 72.50 69.42 1aje s THR 52 CO -0.14 -0.10 0.06 -0.76 -0.69 0.00 0.00 174.62 172.98 1aje s LEU 53 N -4.48 2.73 -0.64 4.42 2.01 0.44 0.13 118.68 123.27 1aje s LEU 53 Ca 0.76 -1.60 -0.19 0.00 0.01 0.00 0.00 54.13 53.11 1aje s LEU 53 Cb -0.30 -1.05 0.11 0.00 0.01 0.00 0.00 46.19 44.96 1aje s LEU 53 CO 0.38 -0.37 0.79 -0.83 1.01 0.00 0.00 176.35 177.33 1aje s GLY 54 N 1.45 1.75 -0.10 -3.19 0.00 0.23 -2.35 107.32 105.11 1aje s GLY 54 Ca 0.07 -2.26 -0.05 0.00 0.00 0.00 0.00 44.72 42.48 1aje s GLY 54 CO -0.17 1.69 0.08 -2.27 0.00 0.00 0.00 173.10 172.43 1aje s LEU 55 N 2.82 4.06 0.02 0.66 2.96 -1.09 0.18 118.68 128.29 1aje s LEU 55 Ca 0.15 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1aje s LEU 55 Cb -0.21 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1aje s LEU 55 CO 0.05 0.39 -0.08 -0.36 -1.32 0.00 0.00 176.35 175.03 1aje s PHE 56 N -0.98 0.73 -0.03 5.38 0.08 -0.44 -4.41 117.98 118.31 1aje s PHE 56 Ca 0.15 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 56.99 1aje s PHE 56 Cb -0.12 -0.44 -0.14 0.00 -0.57 0.00 0.00 43.02 41.75 1aje s PHE 56 CO 0.04 -0.03 0.17 -0.25 -0.10 0.00 0.00 175.22 175.05 1aje n ASP 57 N 2.17 2.79 0.02 1.36 8.00 -1.26 -2.57 116.55 127.05 1aje n ASP 57 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1aje n ASP 57 Cb 0.56 1.28 0.08 0.00 -0.02 0.00 0.00 41.12 43.01 1aje n ASP 57 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1aje h THR 58 N 0.00 1.33 -6.15 -3.53 2.02 -1.96 -3.47 112.91 101.15 1aje h THR 58 Ca -0.06 -1.79 -0.43 0.00 0.77 0.00 0.00 66.41 64.90 1aje h THR 58 Cb 0.70 1.79 0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1aje h THR 58 CO 0.00 0.55 -0.83 0.00 0.37 0.00 0.00 175.52 175.61 1aje n ALA 59 N -2.51 -1.97 -3.15 6.16 0.00 -1.26 -4.96 120.51 112.81 1aje n ALA 59 Ca -0.03 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.29 1aje n ALA 59 Cb 0.59 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.00 1aje n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1aje s GLY 60 N -4.30 -1.26 -0.28 0.00 0.00 -1.26 -5.14 107.32 95.08 1aje s GLY 60 Ca 0.04 1.03 -0.20 0.00 0.00 0.00 0.00 44.72 45.59 1aje s GLY 60 CO 0.82 3.68 0.88 -0.86 0.00 0.00 0.00 173.10 177.62 1aje s GLN 61 N 2.80 0.57 0.40 2.90 0.00 -1.26 -5.01 119.66 120.06 1aje s GLN 61 Ca 0.10 0.83 0.28 0.00 -0.00 0.00 0.00 55.36 56.57 1aje s GLN 61 Cb -0.10 0.20 1.37 0.00 0.00 0.00 0.00 33.01 34.47 1aje s GLN 61 CO -0.26 -0.09 1.47 0.39 0.00 0.00 0.00 175.29 176.80 1aje n GLU 62 N 3.24 -0.04 -2.73 9.60 1.02 -1.26 -4.67 120.64 125.80 1aje n GLU 62 Ca -0.16 1.21 -0.06 0.00 -0.02 0.00 0.00 57.16 58.13 1aje n GLU 62 Cb 0.57 -2.32 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 1aje n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1aje n ASP 63 N -4.73 -1.30 0.00 1.62 -0.08 -1.26 -4.52 116.55 106.28 1aje n ASP 63 Ca 0.37 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1aje n ASP 63 Cb 1.40 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1aje n ASP 63 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1aje n TYR 64 N -2.74 0.00 -3.95 -0.67 4.01 -1.26 -4.86 117.16 107.69 1aje n TYR 64 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1aje n TYR 64 Cb 0.50 0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 1aje n TYR 64 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1aje n ASP 65 N 1.16 -1.58 0.14 7.72 5.68 -1.26 -5.04 116.55 123.38 1aje n ASP 65 Ca 0.00 -2.74 0.02 0.00 -0.50 0.00 0.00 54.79 51.58 1aje n ASP 65 Cb 0.00 2.81 0.05 0.00 -1.14 0.00 0.00 41.12 42.85 1aje n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1aje h ARG 66 N 0.00 0.00 -0.71 0.11 3.08 -1.97 -3.20 114.38 111.69 1aje h ARG 66 Ca -0.28 0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.94 1aje h ARG 66 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1aje h ARG 66 CO 0.37 0.52 0.49 1.25 -1.07 0.00 0.00 179.97 181.53 1aje h LEU 67 N 0.00 0.20-10.23 3.04 5.85 -2.00 -3.41 115.31 108.75 1aje h LEU 67 Ca -0.01 0.01 -0.50 0.00 0.84 0.00 0.00 57.88 58.23 1aje h LEU 67 Cb 1.35 -0.03 0.20 0.00 0.37 0.00 0.00 40.66 42.56 1aje h LEU 67 CO 0.07 0.10 0.16 -0.13 -0.34 0.00 0.00 178.44 178.29 1aje s ARG 68 N -5.21 0.39 0.00 1.25 1.81 -1.21 -5.02 118.95 110.95 1aje s ARG 68 Ca -0.07 1.36 0.00 0.00 -1.72 0.00 0.00 55.73 55.31 1aje s ARG 68 Cb 0.21 -1.67 0.00 0.00 -0.45 0.00 0.00 34.95 33.04 1aje s ARG 68 CO 0.76 -3.00 0.00 -0.35 -0.68 0.00 0.00 175.30 172.02 1aje n PRO 69 N -4.47 1.89 -0.33 3.54 -0.04 -1.26 -4.77 135.00 129.56 1aje n PRO 69 Ca 0.09 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.80 1aje n PRO 69 Cb 0.53 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 34.47 1aje n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1aje h LEU 70 N 0.00 0.22 -2.27 1.53 3.38 -1.95 -3.44 115.31 112.78 1aje h LEU 70 Ca 0.00 0.24 -0.61 0.00 0.09 0.00 0.00 57.88 57.60 1aje h LEU 70 Cb 0.00 0.27 -0.17 0.00 0.09 0.00 0.00 40.66 40.84 1aje h LEU 70 CO 0.00 -0.31 -0.97 -1.20 0.09 0.00 0.00 178.44 176.05 1aje n SER 71 N -5.23 0.29 -2.11 -0.43 7.64 -1.26 -3.87 113.62 108.64 1aje n SER 71 Ca 0.32 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1aje n SER 71 Cb 1.06 -1.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1aje n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1aje n TYR 72 N -4.62 -3.97 -1.92 1.43 4.01 -1.26 -4.87 117.16 105.96 1aje n TYR 72 Ca -0.30 2.38 -0.37 0.00 -0.16 0.00 0.00 57.90 59.45 1aje n TYR 72 Cb 0.68 -3.12 0.03 0.00 -0.31 0.00 0.00 39.34 36.62 1aje n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1aje s PRO 73 N -0.44 3.10 -0.34 -0.72 0.04 -1.25 -5.02 135.00 130.36 1aje s PRO 73 Ca 0.00 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1aje s PRO 73 Cb 0.00 -2.12 0.17 0.00 0.04 0.00 0.00 34.50 32.59 1aje s PRO 73 CO 0.00 -1.15 0.47 1.14 0.04 0.00 0.00 177.00 177.50 1aje s GLN 74 N -3.07 0.60 0.16 4.56 -2.07 -1.26 -4.66 119.66 113.92 1aje s GLN 74 Ca 0.74 -0.23 -0.12 0.00 -1.82 0.00 0.00 55.36 53.93 1aje s GLN 74 Cb -0.35 -0.28 0.05 0.00 -1.09 0.00 0.00 33.01 31.34 1aje s GLN 74 CO 0.40 -1.13 1.65 1.79 -1.32 0.00 0.00 175.29 176.68 1aje h THR 75 N 5.52 1.25 -4.36 3.63 1.35 -1.77 -3.43 112.91 115.11 1aje h THR 75 Ca -0.00 -0.96 -0.14 0.00 -0.55 0.00 0.00 66.41 64.76 1aje h THR 75 Cb 1.12 0.81 0.11 0.00 -1.73 0.00 0.00 68.15 68.46 1aje h THR 75 CO 0.19 0.35 -0.47 -0.67 -0.25 0.00 0.00 175.52 174.67 1aje n ASP 76 N -4.35 -4.59 -3.12 5.36 -0.08 0.30 -4.85 116.55 105.22 1aje n ASP 76 Ca 0.02 -0.39 -0.07 0.00 -1.51 0.00 0.00 54.79 52.84 1aje n ASP 76 Cb 0.27 -3.12 0.07 0.00 2.34 0.00 0.00 41.12 40.68 1aje n ASP 76 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1aje n VAL 77 N -2.45 0.00 -3.86 5.18 0.24 0.15 -4.29 118.33 113.30 1aje n VAL 77 Ca -0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.96 1aje n VAL 77 Cb 0.57 -0.23 -0.16 0.00 -1.47 0.00 0.00 33.84 32.55 1aje n VAL 77 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1aje s PHE 78 N -1.16 2.08 -0.75 6.34 0.08 -0.78 -0.45 117.98 123.34 1aje s PHE 78 Ca 0.16 -1.69 -0.19 0.00 0.12 0.00 0.00 56.93 55.33 1aje s PHE 78 Cb -0.03 -1.63 0.12 0.00 -0.57 0.00 0.00 43.02 40.91 1aje s PHE 78 CO 0.13 -0.78 0.93 -0.51 -0.10 0.00 0.00 175.22 174.89 1aje s LEU 79 N 1.50 5.14 -0.46 -0.37 1.43 -0.58 -0.55 118.68 124.78 1aje s LEU 79 Ca 0.00 -1.65 -0.26 0.00 -1.03 0.00 0.00 54.13 51.19 1aje s LEU 79 Cb -0.18 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1aje s LEU 79 CO -0.11 -1.13 0.97 -0.69 0.23 0.00 0.00 176.35 175.62 1aje s VAL 80 N 2.81 4.41 -0.45 -1.59 1.01 -0.16 -2.47 120.40 123.96 1aje s VAL 80 Ca 0.22 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1aje s VAL 80 Cb -0.14 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.78 1aje s VAL 80 CO 0.00 -0.88 1.27 0.00 0.00 0.00 0.00 175.10 175.50 1aje n PHE 82 N 8.35 0.07 -1.81 0.00 1.16 0.11 -4.06 117.46 121.29 1aje n PHE 82 Ca 0.14 0.02 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 1aje n PHE 82 Cb 0.49 -0.31 0.00 0.00 -1.61 0.00 0.00 39.48 38.05 1aje n PHE 82 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1aje n SER 83 N -1.59 -8.30 -0.08 5.98 2.88 -1.19 -1.29 113.62 110.04 1aje n SER 83 Ca 0.05 1.29 0.04 0.00 -1.33 0.00 0.00 58.87 58.92 1aje n SER 83 Cb 0.35 -4.80 -0.02 0.00 -0.75 0.00 0.00 64.21 58.99 1aje n SER 83 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1aje n VAL 84 N 0.08 0.00 -1.27 2.46 0.31 -1.26 -4.24 118.33 114.40 1aje n VAL 84 Ca 0.00 -0.36 -0.23 0.00 -0.01 0.00 0.00 64.34 63.73 1aje n VAL 84 Cb 0.00 1.04 0.17 0.00 -0.91 0.00 0.00 33.84 34.14 1aje n VAL 84 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1aje n VAL 85 N -0.80 3.18 -4.03 2.52 0.24 -1.26 -1.81 118.33 116.37 1aje n VAL 85 Ca 0.02 -2.13 -0.08 0.00 -2.04 0.00 0.00 64.34 60.11 1aje n VAL 85 Cb 0.14 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 31.87 1aje n VAL 85 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1aje s SER 86 N -1.50 0.35 -0.54 -1.34 1.04 -1.26 -4.57 113.70 105.88 1aje s SER 86 Ca 0.57 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 1aje s SER 86 Cb 0.48 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1aje s SER 86 CO 0.09 -0.48 1.80 -2.16 0.98 0.00 0.00 173.24 173.46 1aje s PRO 87 N -2.88 2.87 0.00 4.02 0.04 -1.26 -3.83 135.00 133.97 1aje s PRO 87 Ca -0.03 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1aje s PRO 87 Cb 0.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1aje s PRO 87 CO -0.06 -2.43 0.00 0.43 0.04 0.00 0.00 177.00 174.98 1aje n SER 88 N 11.80 -0.58 -0.17 6.66 7.64 -1.26 -4.67 113.62 133.03 1aje n SER 88 Ca 0.20 0.29 -0.03 0.00 1.01 0.00 0.00 58.87 60.34 1aje n SER 88 Cb 0.50 -0.72 0.18 0.00 -1.01 0.00 0.00 64.21 63.17 1aje n SER 88 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1aje h SER 89 N 0.00 0.85 0.00 6.43 0.87 -1.83 -1.61 113.55 118.26 1aje h SER 89 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1aje h SER 89 Cb 0.58 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1aje h SER 89 CO 0.00 0.78 0.52 2.19 -0.53 0.00 0.00 176.83 179.79 1aje h PHE 90 N 0.90 0.00 0.07 2.24 -0.00 -1.37 -0.75 116.94 118.04 1aje h PHE 90 Ca 0.21 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.96 1aje h PHE 90 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.16 1aje h PHE 90 CO 0.02 0.00 -1.14 0.93 -0.00 0.00 0.00 178.31 178.12 1aje h GLU 91 N 0.00 0.16 0.00 6.09 5.08 -1.56 -3.25 114.58 121.09 1aje h GLU 91 Ca 0.00 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1aje h GLU 91 Cb 1.04 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1aje h GLU 91 CO 0.00 1.13 -0.02 -2.95 -1.00 0.00 0.00 179.01 176.17 1aje h ASN 92 N -0.56 0.00 -0.44 1.42 -1.07 -1.29 0.57 115.58 114.20 1aje h ASN 92 Ca -0.26 0.00 0.13 0.00 0.07 0.00 0.00 56.30 56.24 1aje h ASN 92 Cb 1.54 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.77 1aje h ASN 92 CO -0.00 0.02 0.50 0.58 0.07 0.00 0.00 177.43 178.59 1aje h VAL 93 N 0.00 0.33 0.03 6.14 2.07 -1.49 -1.98 116.25 121.35 1aje h VAL 93 Ca -0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1aje h VAL 93 Cb 0.06 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1aje h VAL 93 CO 0.00 0.00 -1.80 0.29 0.02 0.00 0.00 177.57 176.09 1aje n LYS 94 N -3.65 0.62 -0.32 1.57 4.76 0.20 -2.14 118.16 119.19 1aje n LYS 94 Ca 0.08 0.41 0.35 0.00 -2.87 0.00 0.00 58.31 56.28 1aje n LYS 94 Cb 0.68 -1.66 0.74 0.00 -1.84 0.00 0.00 35.03 32.95 1aje n LYS 94 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1aje h GLU 95 N -0.71 0.01 0.00 1.97 4.39 -1.23 -2.94 114.58 116.08 1aje h GLU 95 Ca -0.46 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1aje h GLU 95 Cb 1.57 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1aje h GLU 95 CO -0.19 0.01 -0.49 1.17 -1.16 0.00 0.00 179.01 178.34 1aje n LYS 96 N -4.20 2.69 0.02 2.33 4.81 -1.07 -4.64 118.16 118.11 1aje n LYS 96 Ca 0.25 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.51 1aje n LYS 96 Cb 1.23 -0.75 -0.12 0.00 0.02 0.00 0.00 35.03 35.42 1aje n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1aje h TRP 97 N 0.00 0.60 -0.43 5.64 4.06 -1.44 -2.35 115.95 122.03 1aje h TRP 97 Ca 0.00 -0.36 -0.00 0.00 2.06 0.00 0.00 58.89 60.59 1aje h TRP 97 Cb 0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1aje h TRP 97 CO 0.00 1.20 0.25 0.28 -3.56 0.00 0.00 178.44 176.62 1aje h VAL 98 N -0.17 1.14 0.00 1.49 2.07 -1.52 0.29 116.25 119.55 1aje h VAL 98 Ca -0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1aje h VAL 98 Cb 1.42 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1aje h VAL 98 CO 0.13 0.14 0.00 1.55 0.02 0.00 0.00 177.57 179.41 1aje h PRO 99 N 0.56 0.00 0.00 1.57 0.13 -1.70 0.80 132.00 133.36 1aje h PRO 99 Ca 0.15 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.14 1aje h PRO 99 Cb 0.01 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1aje h PRO 99 CO -0.03 0.00 -1.40 0.39 -0.23 0.00 0.00 178.00 176.73 1aje n GLU 100 N -2.94 0.62 -0.10 0.86 -0.58 0.21 -3.32 120.64 115.39 1aje n GLU 100 Ca -0.02 0.19 -0.21 0.00 -0.42 0.00 0.00 57.16 56.71 1aje n GLU 100 Cb 0.14 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.13 1aje n GLU 100 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1aje n ILE 101 N -2.84 1.12 -0.12 -3.67 -5.35 0.78 -4.36 119.36 104.92 1aje n ILE 101 Ca -0.09 -0.30 -0.24 0.00 -0.27 0.00 0.00 62.75 61.85 1aje n ILE 101 Cb 0.80 -1.69 -0.10 0.00 -1.74 0.00 0.00 39.64 36.91 1aje n ILE 101 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1aje n THR 102 N -3.79 1.53 0.19 7.28 -2.24 0.26 0.26 114.28 117.78 1aje n THR 102 Ca -0.39 -0.15 0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1aje n THR 102 Cb 0.80 -2.01 0.79 0.00 -2.10 0.00 0.00 70.33 67.81 1aje n THR 102 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1aje h HIS 103 N -1.00 0.00 0.00 4.78 6.17 -1.54 0.17 115.15 123.74 1aje h HIS 103 Ca -0.46 0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.43 1aje h HIS 103 Cb 1.38 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.28 1aje h HIS 103 CO -0.01 0.00 -1.59 1.58 0.71 0.00 0.00 177.93 178.62 1aje n HIS 104 N -3.45 0.00 -3.35 5.26 -0.00 -1.21 -4.75 115.22 107.71 1aje n HIS 104 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.46 1aje n HIS 104 Cb 0.48 -0.68 -0.07 0.00 -0.00 0.00 0.00 29.99 29.73 1aje n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1aje n PRO 106 N 0.86 3.66 -0.09 0.00 -0.04 0.58 -4.10 135.00 135.88 1aje n PRO 106 Ca 0.30 -2.23 -0.19 0.00 -0.04 0.00 0.00 63.50 61.34 1aje n PRO 106 Cb 0.40 -2.73 -0.12 0.00 -0.04 0.00 0.00 33.50 31.01 1aje n PRO 106 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1aje h LYS 107 N 4.82 0.01 0.00 0.54 1.79 -1.86 -3.50 116.57 118.37 1aje h LYS 107 Ca 0.81 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1aje h LYS 107 Cb 0.37 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1aje h LYS 107 CO 1.65 1.01 0.00 2.41 -1.08 0.00 0.00 179.45 183.44 1aje n THR 108 N -4.47 0.00 -1.71 -0.16 -1.04 -1.26 -5.10 114.28 100.53 1aje n THR 108 Ca -0.24 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.37 1aje n THR 108 Cb 0.62 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 1aje n THR 108 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aje s PRO 109 N 0.00 2.78 -0.35 -2.82 0.04 -1.25 -4.59 135.00 128.80 1aje s PRO 109 Ca 0.00 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 1aje s PRO 109 Cb 0.00 -4.41 0.13 0.00 0.04 0.00 0.00 34.50 30.25 1aje s PRO 109 CO 0.00 -2.51 0.19 0.12 0.04 0.00 0.00 177.00 174.84 1aje s PHE 110 N 9.40 0.99 -0.39 0.56 2.19 -1.26 -1.88 117.98 127.60 1aje s PHE 110 Ca 0.92 -1.64 -0.11 0.00 0.33 0.00 0.00 56.93 56.43 1aje s PHE 110 Cb -0.24 -1.19 0.04 0.00 -1.31 0.00 0.00 43.02 40.32 1aje s PHE 110 CO 0.30 -0.83 0.23 -0.51 1.83 0.00 0.00 175.22 176.25 1aje s LEU 111 N 1.20 4.87 -0.64 6.12 1.43 0.28 0.41 118.68 132.36 1aje s LEU 111 Ca 0.15 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1aje s LEU 111 Cb -0.21 -2.03 0.13 0.00 0.03 0.00 0.00 46.19 44.10 1aje s LEU 111 CO -0.10 -0.43 0.69 -0.22 0.23 0.00 0.00 176.35 176.53 1aje s LEU 112 N 1.54 5.76 0.11 1.79 2.96 0.36 -0.99 118.68 130.23 1aje s LEU 112 Ca 0.02 -1.75 0.04 0.00 -0.22 0.00 0.00 54.13 52.22 1aje s LEU 112 Cb -0.20 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1aje s LEU 112 CO 0.06 -0.97 -0.10 0.68 -1.32 0.00 0.00 176.35 174.70 1aje s VAL 113 N 2.06 0.99 0.00 1.68 -7.23 -1.00 -2.27 120.40 114.63 1aje s VAL 113 Ca 0.12 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1aje s VAL 113 Cb -0.22 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1aje s VAL 113 CO 0.02 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 1aje n GLY 114 N 0.25 -2.57 0.00 2.32 0.00 -0.70 0.05 105.19 104.54 1aje n GLY 114 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1aje n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aje n THR 115 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -3.18 114.28 110.21 1aje n THR 115 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aje n THR 115 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1aje n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aje n GLN 116 N -0.32 0.14 0.00 -0.78 6.02 -1.26 -4.19 117.38 116.99 1aje n GLN 116 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1aje n GLN 116 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1aje n GLN 116 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1aje n ILE 117 N 0.00 0.00 0.24 5.09 5.41 -1.26 -2.87 119.36 125.97 1aje n ILE 117 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1aje n ILE 117 Cb 0.00 0.00 0.69 0.00 -0.71 0.00 0.00 39.64 39.62 1aje n ILE 117 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1aje h ASP 118 N 0.00 0.00 -0.48 4.38 1.82 -1.94 1.18 116.42 121.37 1aje h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1aje h ASP 118 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1aje h ASP 118 CO 0.00 0.00 0.31 0.25 -1.61 0.00 0.00 179.24 178.19 1aje h LEU 119 N 0.00 0.57 -1.17 2.28 7.12 -1.91 -0.88 115.31 121.32 1aje h LEU 119 Ca 0.03 -0.02 0.32 0.00 0.13 0.00 0.00 57.88 58.34 1aje h LEU 119 Cb 0.12 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 1aje h LEU 119 CO -0.00 0.43 1.22 -0.09 -0.13 0.00 0.00 178.44 179.87 1aje h ARG 120 N 0.67 0.00 0.00 1.25 1.12 0.11 2.55 114.38 120.07 1aje h ARG 120 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1aje h ARG 120 Cb -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1aje h ARG 120 CO -0.04 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.57 1aje n ASP 121 N -3.33 1.94 -4.21 -3.80 9.92 -0.35 -5.01 116.55 111.71 1aje n ASP 121 Ca 0.25 -1.95 -0.25 0.00 -0.53 0.00 0.00 54.79 52.30 1aje n ASP 121 Cb 1.56 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 41.89 1aje n ASP 121 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1aje s ASP 122 N -0.95 2.28 0.00 -2.24 2.15 0.86 -4.97 116.67 113.80 1aje s ASP 122 Ca 0.00 -0.43 0.25 0.00 0.43 0.00 0.00 52.55 52.80 1aje s ASP 122 Cb 0.00 -0.22 1.46 0.00 -0.30 0.00 0.00 42.92 43.86 1aje s ASP 122 CO 0.00 0.18 1.88 -0.81 -0.17 0.00 0.00 175.17 176.25 1aje n PRO 123 N 2.22 0.68 0.01 4.34 -0.04 -1.26 -4.03 135.00 136.92 1aje n PRO 123 Ca -0.16 0.02 0.18 0.00 -0.04 0.00 0.00 63.50 63.49 1aje n PRO 123 Cb 0.53 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.83 1aje n PRO 123 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1aje h SER 124 N 0.00 0.00 0.00 3.54 0.02 -1.93 -1.56 113.55 113.62 1aje h SER 124 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1aje h SER 124 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1aje h SER 124 CO 0.00 0.00 -1.09 1.07 -1.14 0.00 0.00 176.83 175.67 1aje n THR 125 N -3.02 0.09 -0.19 -2.27 5.66 -1.26 -4.74 114.28 108.55 1aje n THR 125 Ca 0.13 -0.04 0.16 0.00 -3.05 0.00 0.00 64.05 61.25 1aje n THR 125 Cb 1.23 -0.72 0.30 0.00 -1.55 0.00 0.00 70.33 69.59 1aje n THR 125 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1aje n ILE 126 N -2.35 -0.25 0.22 1.09 2.08 -0.59 0.38 119.36 119.95 1aje n ILE 126 Ca -0.03 1.23 0.18 0.00 0.56 0.00 0.00 62.75 64.70 1aje n ILE 126 Cb 0.54 -1.94 0.86 0.00 -0.75 0.00 0.00 39.64 38.34 1aje n ILE 126 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1aje h GLU 127 N 0.00 0.00 -0.99 0.38 4.57 -1.85 0.87 114.58 117.56 1aje h GLU 127 Ca 0.46 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.88 1aje h GLU 127 Cb 1.16 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.67 1aje h GLU 127 CO -0.49 0.00 0.65 1.57 -1.18 0.00 0.00 179.01 179.56 1aje h LYS 128 N 0.00 0.37 0.00 1.92 -0.00 0.67 -3.38 116.57 116.15 1aje h LYS 128 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.71 1aje h LYS 128 Cb 0.53 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 1aje h LYS 128 CO -0.00 0.25 0.00 1.28 -0.00 0.00 0.00 179.45 180.98 1aje n LEU 129 N -4.55 0.00 -1.90 7.07 4.32 -0.17 -4.99 117.00 116.78 1aje n LEU 129 Ca 0.23 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.13 1aje n LEU 129 Cb 0.82 0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.66 1aje n LEU 129 CO 0.28 -0.27 -0.09 0.00 -1.22 0.00 0.00 177.39 176.09 1aje n ALA 130 N -2.04 -0.52 0.11 -1.18 0.00 0.29 -4.68 120.51 112.48 1aje n ALA 130 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1aje n ALA 130 Cb 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 18.46 1aje n ALA 130 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aje h LYS 131 N 0.00 0.08 -0.37 0.00 1.79 -1.90 -2.50 116.57 113.67 1aje h LYS 131 Ca -0.19 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1aje h LYS 131 Cb 0.87 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1aje h LYS 131 CO 0.24 0.74 0.00 0.09 -1.08 0.00 0.00 179.45 179.45 1aje n ASN 132 N -3.74 3.90 -2.61 0.86 3.02 -1.26 -4.91 115.26 110.52 1aje n ASN 132 Ca -0.02 -2.64 -0.06 0.00 -0.03 0.00 0.00 54.58 51.84 1aje n ASN 132 Cb 0.68 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1aje n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aje n LYS 133 N 0.12 -2.73 0.00 3.52 4.01 -0.94 -4.18 118.16 117.96 1aje n LYS 133 Ca 0.20 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1aje n LYS 133 Cb 0.79 -4.71 0.00 0.00 -0.51 0.00 0.00 35.03 30.60 1aje n LYS 133 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1aje n GLN 134 N -2.69 0.00 -1.61 1.97 1.13 -1.26 -5.05 117.38 109.88 1aje n GLN 134 Ca -0.03 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1aje n GLN 134 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.87 1aje n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aje n LYS 135 N 0.00 -0.41 -2.15 -1.09 4.76 -1.26 -4.71 118.16 113.30 1aje n LYS 135 Ca 0.00 0.76 -0.27 0.00 -2.87 0.00 0.00 58.31 55.93 1aje n LYS 135 Cb 0.00 -1.39 0.13 0.00 -1.84 0.00 0.00 35.03 31.93 1aje n LYS 135 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1aje s PRO 136 N -0.72 1.36 0.10 1.97 0.04 -1.25 -4.34 135.00 132.15 1aje s PRO 136 Ca -0.02 -0.50 -0.31 0.00 0.04 0.00 0.00 61.00 60.21 1aje s PRO 136 Cb 0.00 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 1aje s PRO 136 CO 0.08 -1.85 1.86 -0.89 0.04 0.00 0.00 177.00 176.24 1aje n ILE 137 N -3.31 0.43 -2.18 0.56 -0.00 -0.75 -4.93 119.36 109.17 1aje n ILE 137 Ca 0.13 -0.08 -0.27 0.00 -0.00 0.00 0.00 62.75 62.53 1aje n ILE 137 Cb 0.60 -2.13 0.12 0.00 -0.00 0.00 0.00 39.64 38.23 1aje n ILE 137 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1aje s THR 138 N 3.03 2.12 -1.18 1.39 2.01 -1.26 -4.91 115.64 116.85 1aje s THR 138 Ca 0.84 -0.24 0.19 0.00 0.31 0.00 0.00 61.69 62.78 1aje s THR 138 Cb -0.49 -2.88 0.23 0.00 0.01 0.00 0.00 72.50 69.36 1aje s THR 138 CO 0.39 0.00 1.59 -0.81 -0.69 0.00 0.00 174.62 175.10 1aje n PRO 139 N -3.23 0.11 0.00 4.92 -0.04 -1.26 -2.06 135.00 133.45 1aje n PRO 139 Ca 0.12 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 1aje n PRO 139 Cb 0.60 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 1aje n PRO 139 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1aje n GLU 140 N -1.41 1.87 0.00 0.54 -0.58 -1.26 -4.13 120.64 115.67 1aje n GLU 140 Ca 0.06 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1aje n GLU 140 Cb 0.19 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1aje n GLU 140 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1aje n THR 141 N -1.19 0.00 0.13 2.62 -1.04 -0.87 -2.80 114.28 111.13 1aje n THR 141 Ca 0.03 0.54 -0.15 0.00 -2.04 0.00 0.00 64.05 62.44 1aje n THR 141 Cb 0.25 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 1aje n THR 141 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aje h ALA 142 N -2.00 -0.77 -1.00 2.41 0.00 -1.82 -0.73 119.26 115.35 1aje h ALA 142 Ca 0.00 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.10 1aje h ALA 142 Cb 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1aje h ALA 142 CO 0.00 -0.99 0.58 0.93 0.00 0.00 0.00 179.25 179.77 1aje h GLU 143 N -0.68 0.46 -0.74 0.00 5.08 -1.76 0.51 114.58 117.45 1aje h GLU 143 Ca 0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1aje h GLU 143 Cb 0.69 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1aje h GLU 143 CO -0.22 0.31 0.42 -0.22 -1.00 0.00 0.00 179.01 178.30 1aje h LYS 144 N 0.48 0.74 0.00 2.33 1.63 -0.96 -2.39 116.57 118.39 1aje h LYS 144 Ca 0.68 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 60.14 1aje h LYS 144 Cb 1.41 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.82 1aje h LYS 144 CO -0.53 0.49 -1.74 1.47 -3.45 0.00 0.00 179.45 175.69 1aje n LEU 145 N -4.75 0.83 0.26 5.20 -0.00 0.12 -3.59 117.00 115.07 1aje n LEU 145 Ca 0.10 0.40 0.17 0.00 -0.00 0.00 0.00 56.01 56.68 1aje n LEU 145 Cb 0.20 0.19 0.91 0.00 -0.00 0.00 0.00 43.42 44.72 1aje n LEU 145 CO 0.29 0.39 1.15 0.00 -0.00 0.00 0.00 177.39 179.21 1aje h ALA 146 N 1.00 1.58 -0.05 1.47 0.00 -0.06 2.65 119.26 125.86 1aje h ALA 146 Ca -0.30 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1aje h ALA 146 Cb 2.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1aje h ALA 146 CO 0.08 -0.18 -0.61 -0.09 0.00 0.00 0.00 179.25 178.45 1aje h ARG 147 N 0.00 0.18 0.00 0.00 2.43 -1.51 1.33 114.38 116.82 1aje h ARG 147 Ca 0.04 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 1aje h ARG 147 Cb 0.31 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1aje h ARG 147 CO -0.00 0.73 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.34 1aje h ASP 148 N 0.13 0.00 0.00 -3.80 5.19 0.45 -3.35 116.42 115.04 1aje h ASP 148 Ca -0.01 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1aje h ASP 148 Cb 1.11 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 1aje h ASP 148 CO 0.09 0.41 -1.66 0.18 -3.12 0.00 0.00 179.24 175.14 1aje n LEU 149 N -3.55 2.71 -1.96 1.55 4.77 -0.40 -5.04 117.00 115.08 1aje n LEU 149 Ca -0.00 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1aje n LEU 149 Cb 0.53 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1aje n LEU 149 CO 0.38 0.64 0.03 0.29 -1.33 0.00 0.00 177.39 177.39 1aje n LYS 150 N -2.93 -2.08 0.00 3.23 4.76 0.45 -5.03 118.16 116.57 1aje n LYS 150 Ca -0.21 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1aje n LYS 150 Cb 0.71 -3.60 0.00 0.00 -1.84 0.00 0.00 35.03 30.30 1aje n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aje n ALA 151 N -2.16 0.00 0.05 7.82 0.00 -1.26 -4.91 120.51 120.05 1aje n ALA 151 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1aje n ALA 151 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 1aje n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aje h VAL 152 N -0.99 0.83 -2.53 0.00 2.07 0.77 -3.47 116.25 112.94 1aje h VAL 152 Ca 0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1aje h VAL 152 Cb 0.00 2.68 -0.15 0.00 -1.52 0.00 0.00 31.29 32.30 1aje h VAL 152 CO 0.00 0.88 0.28 -0.75 0.02 0.00 0.00 177.57 177.99 1aje s LYS 153 N -2.57 1.10 -0.06 1.57 2.47 -1.08 -5.00 119.74 116.17 1aje s LYS 153 Ca -0.18 -0.22 0.03 0.00 -1.56 0.00 0.00 55.97 54.04 1aje s LYS 153 Cb 0.06 0.51 0.01 0.00 -1.46 0.00 0.00 37.83 36.94 1aje s LYS 153 CO 0.83 -0.44 -0.14 -0.47 0.16 0.00 0.00 175.35 175.28 1aje s TYR 154 N -2.84 1.58 0.27 4.03 5.04 -1.25 -0.48 117.35 123.69 1aje s TYR 154 Ca -0.01 -0.54 -0.06 0.00 -2.44 0.00 0.00 57.07 54.01 1aje s TYR 154 Cb -0.01 -1.11 0.03 0.00 0.35 0.00 0.00 41.96 41.21 1aje s TYR 154 CO -0.06 -0.24 0.46 1.33 -1.34 0.00 0.00 175.55 175.70 1aje n VAL 155 N 3.57 0.00 -3.90 3.14 0.24 -0.96 -4.97 118.33 115.45 1aje n VAL 155 Ca -0.21 -0.97 -0.10 0.00 -2.04 0.00 0.00 64.34 61.01 1aje n VAL 155 Cb 0.52 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 1aje n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1aje s GLU 156 N -2.30 0.53 0.00 7.34 2.02 -1.26 -1.72 118.70 123.31 1aje s GLU 156 Ca 0.16 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1aje s GLU 156 Cb -0.02 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1aje s GLU 156 CO 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 175.26 175.26 1aje s SER 158 N 0.00 6.47 0.02 0.00 0.15 -1.14 -4.41 113.70 114.79 1aje s SER 158 Ca 0.00 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1aje s SER 158 Cb 0.00 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1aje s SER 158 CO 0.00 -0.93 0.10 0.00 1.20 0.00 0.00 173.24 173.60 1aje n ALA 159 N 4.52 0.03 0.00 5.45 0.00 -1.26 0.26 120.51 129.52 1aje n ALA 159 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.71 1aje n ALA 159 Cb 0.37 -0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1aje n ALA 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 160 N -3.78 0.36 0.16 0.00 -0.00 -1.26 -4.50 117.00 107.97 1aje n LEU 160 Ca 0.01 0.15 -0.09 0.00 -0.00 0.00 0.00 56.01 56.09 1aje n LEU 160 Cb 0.05 0.10 -0.05 0.00 -0.00 0.00 0.00 43.42 43.52 1aje n LEU 160 CO -0.00 0.09 0.51 0.74 -0.00 0.00 0.00 177.39 178.73 1aje h THR 161 N 0.00 0.00 -0.36 1.47 2.02 0.32 -3.48 112.91 112.88 1aje h THR 161 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1aje h THR 161 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1aje h THR 161 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1aje n GLN 162 N -3.74 0.00 0.00 6.66 1.13 -1.16 -4.96 117.38 115.32 1aje n GLN 162 Ca -0.06 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.14 1aje n GLN 162 Cb 0.22 -2.09 0.59 0.00 0.11 0.00 0.00 30.24 29.06 1aje n GLN 162 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1aje n LYS 163 N -0.66 1.36 0.00 -1.09 2.85 -1.26 -4.42 118.16 114.94 1aje n LYS 163 Ca 0.00 -0.68 0.00 0.00 -1.05 0.00 0.00 58.31 56.58 1aje n LYS 163 Cb 0.35 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1aje n LYS 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aje n GLY 164 N 1.18 0.16 0.28 2.58 0.00 -1.23 -4.90 105.19 103.25 1aje n GLY 164 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1aje n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aje h LEU 165 N 0.00 -0.74 -0.89 0.99 4.07 -1.84 3.75 115.31 120.64 1aje h LEU 165 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1aje h LEU 165 Cb 0.00 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1aje h LEU 165 CO 0.00 -0.30 0.00 0.29 -1.08 0.00 0.00 178.44 177.35 1aje n LYS 166 N -5.37 0.09 -0.11 1.13 5.02 -1.26 0.20 118.16 117.86 1aje n LYS 166 Ca -0.04 0.58 -0.22 0.00 -2.02 0.00 0.00 58.31 56.61 1aje n LYS 166 Cb 0.28 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 1aje n LYS 166 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1aje n ASN 167 N -1.98 1.99 0.36 4.39 5.15 0.35 -1.78 115.26 123.73 1aje n ASN 167 Ca -0.01 0.12 -0.14 0.00 -0.60 0.00 0.00 54.58 53.94 1aje n ASN 167 Cb 0.03 -0.66 -0.07 0.00 -0.53 0.00 0.00 39.78 38.54 1aje n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1aje h VAL 168 N -0.38 0.00 -0.88 3.44 2.07 0.79 0.74 116.25 122.03 1aje h VAL 168 Ca -0.57 -0.18 0.23 0.00 0.82 0.00 0.00 66.70 67.01 1aje h VAL 168 Cb 1.78 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.42 1aje h VAL 168 CO -0.17 0.00 0.30 -0.26 0.02 0.00 0.00 177.57 177.46 1aje h PHE 169 N -1.11 0.48 -0.53 1.57 0.04 0.20 2.75 116.94 120.33 1aje h PHE 169 Ca -0.10 0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1aje h PHE 169 Cb 0.72 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1aje h PHE 169 CO 0.03 -0.15 0.32 0.22 -0.60 0.00 0.00 178.31 178.12 1aje h ASP 170 N 0.27 0.52 0.59 2.17 1.82 -0.60 0.11 116.42 121.31 1aje h ASP 170 Ca 0.56 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.17 1aje h ASP 170 Cb 1.12 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 41.02 1aje h ASP 170 CO -0.61 0.37 -0.28 -0.33 -1.61 0.00 0.00 179.24 176.78 1aje h GLU 171 N 0.64 -0.76 -0.88 0.28 4.39 0.91 0.92 114.58 120.08 1aje h GLU 171 Ca 0.21 0.05 0.32 0.00 0.34 0.00 0.00 59.36 60.28 1aje h GLU 171 Cb 0.01 0.17 -0.16 0.00 -0.10 0.00 0.00 28.75 28.67 1aje h GLU 171 CO -0.09 -0.51 0.28 0.00 -1.16 0.00 0.00 179.01 177.53 1aje n ALA 172 N -2.70 0.71 0.07 3.43 0.00 0.79 0.29 120.51 123.09 1aje n ALA 172 Ca -0.10 0.92 -0.21 0.00 0.00 0.00 0.00 53.44 54.05 1aje n ALA 172 Cb 0.31 -0.81 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 1aje n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aje h ILE 173 N 0.00 1.28 0.00 0.00 5.03 -0.79 -0.92 117.51 122.11 1aje h ILE 173 Ca 0.66 -2.36 0.00 0.00 -0.12 0.00 0.00 64.86 63.03 1aje h ILE 173 Cb 1.60 2.55 0.00 0.00 -3.03 0.00 0.00 36.82 37.94 1aje h ILE 173 CO -0.75 0.73 0.00 -0.11 -0.68 0.00 0.00 178.15 177.34 1aje n LEU 174 N -3.82 0.03 -0.01 1.44 -0.00 0.75 0.23 117.00 115.63 1aje n LEU 174 Ca -0.12 0.51 0.10 0.00 -0.00 0.00 0.00 56.01 56.50 1aje n LEU 174 Cb 0.94 -0.50 -0.16 0.00 -0.00 0.00 0.00 43.42 43.70 1aje n LEU 174 CO 0.57 -0.28 -0.63 0.00 -0.00 0.00 0.00 177.39 177.05 1aje n ALA 175 N -1.51 3.10 0.51 1.96 0.00 0.84 -1.93 120.51 123.47 1aje n ALA 175 Ca 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1aje n ALA 175 Cb 0.16 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1aje n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aje n ALA 176 N -2.11 3.37 0.00 0.00 0.00 0.09 -3.92 120.51 117.94 1aje n ALA 176 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1aje n ALA 176 Cb 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1aje n ALA 176 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 177 N -1.16 0.00 -2.17 0.00 -0.00 0.63 -4.85 117.00 109.45 1aje n LEU 177 Ca 0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1aje n LEU 177 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1aje n LEU 177 CO 0.21 0.00 -0.18 1.21 -0.00 0.00 0.00 177.39 178.63 1aje n GLU 178 N -0.52 -0.49 -2.38 1.47 0.00 -0.81 -4.91 120.64 112.99 1aje n GLU 178 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 57.16 57.53 1aje n GLU 178 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 31.44 30.84 1aje n GLU 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1aje s PRO 179 N -0.36 3.57 -1.07 5.31 0.04 -1.26 -4.96 135.00 136.27 1aje s PRO 179 Ca 0.00 0.40 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 1aje s PRO 179 Cb 0.00 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1aje s PRO 179 CO 0.00 -0.32 1.93 -1.25 0.04 0.00 0.00 177.00 177.39 1aje s PRO 180 N -4.86 2.58 0.00 0.56 0.04 -1.26 -4.77 135.00 127.29 1aje s PRO 180 Ca 0.50 -0.84 -0.23 0.00 0.04 0.00 0.00 61.00 60.46 1aje s PRO 180 Cb -0.11 -5.18 -0.18 0.00 0.04 0.00 0.00 34.50 29.07 1aje s PRO 180 CO 0.47 -3.67 1.28 0.93 0.04 0.00 0.00 177.00 176.05 1aje h GLU 181 N 10.28 0.16 -3.75 4.56 4.39 -2.03 -3.34 114.58 124.86 1aje h GLU 181 Ca 0.18 -0.09 -0.62 0.00 0.34 0.00 0.00 59.36 59.17 1aje h GLU 181 Cb 0.96 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1aje h GLU 181 CO 1.23 0.63 3.02 -0.35 -1.16 0.00 0.00 179.01 182.37 1aje n PRO 182 N -4.70 2.59 -2.11 2.33 -0.04 -1.26 -4.93 135.00 126.88 1aje n PRO 182 Ca -0.08 -2.09 -0.42 0.00 -0.04 0.00 0.00 63.50 60.87 1aje n PRO 182 Cb 0.32 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 1aje n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aje s LYS 183 N 3.41 4.22 -0.45 0.54 1.02 -1.26 -4.06 119.74 123.16 1aje s LYS 183 Ca 0.53 2.09 -0.36 0.00 0.02 0.00 0.00 55.97 58.25 1aje s LYS 183 Cb 0.14 -3.74 0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1aje s LYS 183 CO -0.02 -0.72 0.66 1.17 -0.92 0.00 0.00 175.35 175.52 1aje n LYS 184 N 6.17 -1.99 -2.70 1.68 4.81 -1.26 -4.96 118.16 119.90 1aje n LYS 184 Ca 0.15 1.51 -0.06 0.00 -0.87 0.00 0.00 58.31 59.04 1aje n LYS 184 Cb 0.43 -2.55 0.09 0.00 0.02 0.00 0.00 35.03 33.02 1aje n LYS 184 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1aje n SER 185 N -0.24 -1.92 -4.44 3.14 7.64 -1.26 -5.09 113.62 111.45 1aje n SER 185 Ca -0.06 -2.76 -0.44 0.00 1.01 0.00 0.00 58.87 56.62 1aje n SER 185 Cb 0.66 1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 65.31 1aje n SER 185 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1aje s ARG 186 N 0.24 3.38 0.00 1.43 0.52 -1.26 -5.08 118.95 118.18 1aje s ARG 186 Ca 0.24 -1.40 0.30 0.00 -0.52 0.00 0.00 55.73 54.35 1aje s ARG 186 Cb 0.27 -4.62 1.54 0.00 0.52 0.00 0.00 34.95 32.66 1aje s ARG 186 CO -0.14 -1.76 2.02 -2.13 0.02 0.00 0.00 175.30 173.31